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Eine große, strukturell vielfältige Klasse natürlicher Produkte, die aus vier C5-Isopreneinheiten gewonnen wurden, die in einer Kopf-Schwanz-Form verbunden sind; die Grundlage biologisch wichtiger Verbindungen wie Retinol, Retinal und Phytol; antimikrobiell und entzündungshemmend.

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1

Crocetin, freie Säure, >90 %, MP Biomedicals™

CAS: 27876-94-4 Summenformel: C20H24O4 Molekulargewicht (g/mol): 328.408 InChI-Schlüssel: PANKHBYNKQNAHN-MQQNZMFNSA-N Synonym: 8,8'-Diapocarotediosäure,Naturgelb 6,8,8'-Diapocarotin-8,8 '-Diosäure,8,8'-Diapo-psi,psi-Carotediosäure,2E,4E,6E,8E,10E,12E,14E-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptandisäure,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin PubChem CID: 5281232 ChEBI: CHEBI:3918 IUPAC-Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-Heptaendiosäure SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O

InChI-Schlüssel PANKHBYNKQNAHN-MQQNZMFNSA-N
IUPAC-Name (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-Heptaendiosäure
PubChem CID 5281232
CAS 27876-94-4
ChEBI CHEBI:3918
Molekulargewicht (g/mol) 328.408
SMILES CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Synonym 8,8'-Diapocarotediosäure,Naturgelb 6,8,8'-Diapocarotin-8,8 '-Diosäure,8,8'-Diapo-psi,psi-Carotediosäure,2E,4E,6E,8E,10E,12E,14E-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptandisäure,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin
Summenformel C20H24O4
2

Crocetin, TRC

CAS: 27876-94-4 Summenformel: C20 H24 O4 Molekulargewicht (g/mol): 328.4 Synonym: 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI),8,8'-Diapo-ψ,ψ-carotenedioic acid,Crocetin (6CI),(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid,Apocarotenic acid,Crocetin (stable),NSC 407300,Stable crocetin,Transcrocetin,trans-Crocetin,α-Crocetin IUPAC-Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-Heptaendiosäure SMILES: C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)\C=C\C=C(/C)\C(=O)O

IUPAC-Name (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-Heptaendiosäure
CAS 27876-94-4
Molekulargewicht (g/mol) 328.4
SMILES C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)\C=C\C=C(/C)\C(=O)O
Synonym 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI),8,8'-Diapo-ψ,ψ-carotenedioic acid,Crocetin (6CI),(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid,Apocarotenic acid,Crocetin (stable),NSC 407300,Stable crocetin,Transcrocetin,trans-Crocetin,α-Crocetin
Summenformel C20 H24 O4
3

Norbixin, TRC

CAS: 542-40-5 Summenformel: C24H28O4 Molekulargewicht (g/mol): 380.48 Synonym: 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-,2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl- (8CI),6,6'-Diapo-ψ,ψ-carotenedioic acid,Norbixin (6CI,7CI),(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioic acid,AFC-WS 4600P,all-trans-Norbixin,β-Norbixin IUPAC-Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-Nonenedioinsäure SMILES: C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)O)\C=C\C=C(/C)\C=C\C(=O)O

IUPAC-Name (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-Nonenedioinsäure
CAS 542-40-5
Molekulargewicht (g/mol) 380.48
SMILES C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)O)\C=C\C=C(/C)\C=C\C(=O)O
Synonym 2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-,2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl- (8CI),6,6'-Diapo-ψ,ψ-carotenedioic acid,Norbixin (6CI,7CI),(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioic acid,AFC-WS 4600P,all-trans-Norbixin,β-Norbixin
Summenformel C24H28O4
4

4Beta-Phorbol 12-Myristate 13-Acetat, TRC

CAS: 16561-29-8 Summenformel: C36 H56 O8 Molekulargewicht (g/mol): 616.82 Synonym: Myristic Acid 9-ester with (+)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 9a-Acetate,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl Ester Tetradecanoic Acid,1H-Cyclopropa[3,4]benz[1,2-e]azulene Tetradecanoic Acid Deriv. 12-O-Tetradecanoylphorbol 13-Acetate,12-Tetradecanoylphorbol 13-Acetate,12-Tetradecanoylphorbol 13-Monoacetate,13-O-Acetylphorbol 12-Myristate,4β-Phorbol 12-myristate 13-Acetate,Factor A1,Factor A1 (croton oil) NSC 262244,PMA,PMA (tumor promoter),Phorbol 12-myristate 13-Acetate,Phorbol 12-tetradecanoate 13-Acetate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)C4C(C)(C)C14OC(=O)C

CAS 16561-29-8
Molekulargewicht (g/mol) 616.82
SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)C4C(C)(C)C14OC(=O)C
Synonym Myristic Acid 9-ester with (+)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 9a-Acetate,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl Ester Tetradecanoic Acid,1H-Cyclopropa[3,4]benz[1,2-e]azulene Tetradecanoic Acid Deriv. 12-O-Tetradecanoylphorbol 13-Acetate,12-Tetradecanoylphorbol 13-Acetate,12-Tetradecanoylphorbol 13-Monoacetate,13-O-Acetylphorbol 12-Myristate,4β-Phorbol 12-myristate 13-Acetate,Factor A1,Factor A1 (croton oil) NSC 262244,PMA,PMA (tumor promoter),Phorbol 12-myristate 13-Acetate,Phorbol 12-tetradecanoate 13-Acetate
Summenformel C36 H56 O8
5

7-Epi Docetaxel, TRC

CAS: 153381-68-1 Summenformel: C43 H53 N O14 Molekulargewicht (g/mol): 807.88 Synonym: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,6β,9α(αR*,βS*),11β,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,4-epi-Docetaxel,7-Epidocetaxel,7-Epitaxotere,7-epi-Docetaxel,5β,20-epoxy-1,7α,10β-Trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Docetaxel Trihydrate Imp C (EP),Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,6β,9α(αR*,βS*),11β,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,4-epi-Docetaxel,7-Epidocetaxel,7-Epitaxotere,7-epi-Docetaxel,5β,20-epoxy-1,7α,10β-Trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Docetaxel Trihydrate Imp C (EP),Docetaxel Anhydrous Impurity C,Docetaxel Trihydrate Impurity C,Docetaxel Impurity C,Docetaxel Impurity C IUPAC-Name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-Acetyloxy-1,9,12-Trihydroxy-15-[(2R,3S)-2-Hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]Oxy-10,14,17,17-Tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

IUPAC-Name [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-Acetyloxy-1,9,12-Trihydroxy-15-[(2R,3S)-2-Hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]Oxy-10,14,17,17-Tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat
CAS 153381-68-1
Molekulargewicht (g/mol) 807.88
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
Synonym Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,6β,9α(αR*,βS*),11β,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,4-epi-Docetaxel,7-Epidocetaxel,7-Epitaxotere,7-epi-Docetaxel,5β,20-epoxy-1,7α,10β-Trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Docetaxel Trihydrate Imp C (EP),Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,6β,9α(αR*,βS*),11β,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,4-epi-Docetaxel,7-Epidocetaxel,7-Epitaxotere,7-epi-Docetaxel,5β,20-epoxy-1,7α,10β-Trihydroxy-9-oxotax-11-ene-2a,4,13a-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Docetaxel Trihydrate Imp C (EP),Docetaxel Anhydrous Impurity C,Docetaxel Trihydrate Impurity C,Docetaxel Impurity C,Docetaxel Impurity C
Summenformel C43 H53 N O14
6

Cephalomannin, TRC

CAS: 71610-00-9 Summenformel: C45 H53 N O14 Molekulargewicht (g/mol): 831.9 Synonym: Paclitaxel Related Compound A,Paclitaxel Imp B (EP),N-Debenzoyl-N-tigloylpaclitaxel,Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α[αR*,βS*(E)],11α,12α,12aα,12bα]]-,Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- (9CI),7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Cephalomannine,NSC 318735,Taxol B IUPAC-Name: (αR,Sβ)-α-Hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]Benzolpropansäure (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(Acetyloxy)-12-(Benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-Cyclodeca[3,4]benz[1,2-b]oxet-9-ylester SMILES: C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6

IUPAC-Name (αR,Sβ)-α-Hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]Benzolpropansäure (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(Acetyloxy)-12-(Benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-Cyclodeca[3,4]benz[1,2-b]oxet-9-ylester
CAS 71610-00-9
Molekulargewicht (g/mol) 831.9
SMILES C\C=C(/C)\C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6
Synonym Paclitaxel Related Compound A,Paclitaxel Imp B (EP),N-Debenzoyl-N-tigloylpaclitaxel,Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α[αR*,βS*(E)],11α,12α,12aα,12bα]]-,Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- (9CI),7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Cephalomannine,NSC 318735,Taxol B
Summenformel C45 H53 N O14
7

Cabazitaxel, TRC

CAS: 183133-96-2 Summenformel: C45 H57 N O14 Molekulargewicht (g/mol): 835.93 Synonym: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,Cabazitaxel,DEP cabazitaxel,Jevtana,TXD 258,XRP 6258,(αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester IUPAC-Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]oxy-9,12-Dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat SMILES: CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

IUPAC-Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]oxy-9,12-Dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat
CAS 183133-96-2
Molekulargewicht (g/mol) 835.93
SMILES CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
Synonym Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,Cabazitaxel,DEP cabazitaxel,Jevtana,TXD 258,XRP 6258,(αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
Summenformel C45 H57 N O14
8

Docetaxel, TRC

CAS: 114977-28-5 Summenformel: C43 H53 N O14 Molekulargewicht (g/mol): 807.88 Synonym: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,5β,20-Epoxy-1,7β,10β-trihydroxy-9-oxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Docetaxel,Docetaxol,Docetere,Duopafei,N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol,RP 56976,SID 530,Taxotel,Taxotere IUPAC-Name: 5,20-Epoxy-1,7,10-Trihydroxy-9-Oxotax-11-En-2,4,13-Triyl-4-Acetat β αβ βα 2-Benzoat 13-[(2R,3S)-3-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Hydroxy-3-Phenylpropanoat] SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

IUPAC-Name 5,20-Epoxy-1,7,10-Trihydroxy-9-Oxotax-11-En-2,4,13-Triyl-4-Acetat β αβ βα 2-Benzoat 13-[(2R,3S)-3-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Hydroxy-3-Phenylpropanoat]
CAS 114977-28-5
Molekulargewicht (g/mol) 807.88
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
Synonym Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,5β,20-Epoxy-1,7β,10β-trihydroxy-9-oxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Docetaxel,Docetaxol,Docetere,Duopafei,N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol,RP 56976,SID 530,Taxotel,Taxotere
Summenformel C43 H53 N O14
9

cis-Norbixin, TRC

CAS: 626-76-6 Summenformel: C24 H28 O4 Molekulargewicht (g/mol): 380.48 Synonym: (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioic Acid IUPAC-Name: (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-Nonenedioinsäure SMILES: C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)O)\C)\C=C\C(=O)O

IUPAC-Name (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-Tetramethylicosa-2,4,6,8,10,12,14,16,18-Nonenedioinsäure
CAS 626-76-6
Molekulargewicht (g/mol) 380.48
SMILES C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)O)\C)\C=C\C(=O)O
Synonym (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaenedioic Acid
Summenformel C24 H28 O4
10

7-Epi-10-oxo Docetaxel, TRC

CAS: 162784-72-7 Summenformel: C43 H51 N O14 Molekulargewicht (g/mol): 805.86 Synonym: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,4-epi-6-Oxodocetaxel,5β,20-Epoxy-1,7α-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxo-7-epidocetaxel,Docetaxel Trihydrate Imp D (EP),(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine,7-Epi-10-oxo Docetaxel,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,4-epi-6-Oxodocetaxel,5β,20-Epoxy-1,7α-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxo-7-epidocetaxel,Docetaxel Trihydrate Imp D (EP),4-epi-6-Oxodocetaxel,(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine IUPAC-Name: [(1S,2S,3R,4S,7R,9R,10S,15S)-4-Acetyloxy-1,9-Dihydroxy-15-[(2R,3S)-2-Hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]Oxy-10,14,17,17-Tetramethyl-11,12-Dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C

IUPAC-Name [(1S,2S,3R,4S,7R,9R,10S,15S)-4-Acetyloxy-1,9-Dihydroxy-15-[(2R,3S)-2-Hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]Oxy-10,14,17,17-Tetramethyl-11,12-Dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat
CAS 162784-72-7
Molekulargewicht (g/mol) 805.86
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C
Synonym Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,4-epi-6-Oxodocetaxel,5β,20-Epoxy-1,7α-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxo-7-epidocetaxel,Docetaxel Trihydrate Imp D (EP),(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine,7-Epi-10-oxo Docetaxel,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4α,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,4-epi-6-Oxodocetaxel,5β,20-Epoxy-1,7α-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxo-7-epidocetaxel,Docetaxel Trihydrate Imp D (EP),4-epi-6-Oxodocetaxel,(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine
Summenformel C43 H51 N O14
11

7-Epi 10-Desacetyl Paclitaxel, TRC

CAS: 78454-17-8 Summenformel: C45 H49 N O13 Molekulargewicht (g/mol): 811.87 Synonym: Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,10-Deacetyl-7-epi-paclitaxel,10-Deacetyl-7-epi-taxol,10-Deacetyl-7-epipaclitaxel,10-Deacetyl-7-epitaxol,10-Desacetyl-7-epipaclitaxel,7-Epi-10-deacetyltaxol,7-epi-10-Deacetylpaclitaxel,7-epi-10-Deacetyltaxol,Ormosin V,Paclitaxel Imp H (EP) IUPAC-Name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-Acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C

IUPAC-Name [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-Acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat
CAS 78454-17-8
Molekulargewicht (g/mol) 811.87
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C
Synonym Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,10-Deacetyl-7-epi-paclitaxel,10-Deacetyl-7-epi-taxol,10-Deacetyl-7-epipaclitaxel,10-Deacetyl-7-epitaxol,10-Desacetyl-7-epipaclitaxel,7-Epi-10-deacetyltaxol,7-epi-10-Deacetylpaclitaxel,7-epi-10-Deacetyltaxol,Ormosin V,Paclitaxel Imp H (EP)
Summenformel C45 H49 N O13
12

10-Oxo Docetaxel, TRC

CAS: 167074-97-7 Summenformel: C43 H51 N O14 Molekulargewicht (g/mol): 805.86 Synonym: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,5β,20-Epoxy-1,7β-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxodocetaxel,Docetaxel Trihydrate Imp B (EP),6-Oxodocetaxel,(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine IUPAC-Name: [(1S,2S,3R,4S,7R,9S,10S,15S)-4-Acetyloxy-1,9-Dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C

IUPAC-Name [(1S,2S,3R,4S,7R,9S,10S,15S)-4-Acetyloxy-1,9-Dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-Methylpropan-2-yl)Oxycarbonylamino]-3-Phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Benzoat
CAS 167074-97-7
Molekulargewicht (g/mol) 805.86
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C
Synonym Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,5β,20-Epoxy-1,7β-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxodocetaxel,Docetaxel Trihydrate Imp B (EP),6-Oxodocetaxel,(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine
Summenformel C43 H51 N O14
13

2-Debenzoyl Paclitaxel 2-Pentanoat, TRC

CAS: 213767-22-7 Summenformel: C45 H55 N O14 Molekulargewicht (g/mol): 833.92 Synonym: Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxopentyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- IUPAC-Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Pentanolat SMILES: CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C

IUPAC-Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]Heptadec-13-en-2-yl] Pentanolat
CAS 213767-22-7
Molekulargewicht (g/mol) 833.92
SMILES CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C
Synonym Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxopentyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
Summenformel C45 H55 N O14