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Triterpene

Verbindungen mit einem Kohlenstoffskelett auf Basis von sechs Isopreneinheiten, die biosynthetisch aus dem azyklischen C30 -Kohlenwasserstoff, Squalen, gewonnen werden. Sie weisen relativ komplexe zyklische Strukturen auf, wobei die meisten entweder Alkohole, Aldehyde oder Carbonsäuren sind.

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1

Thermo Scientific Chemicals Betulinsäure

CAS: 472-15-1 Summenformel: C30H48O3 Molekulargewicht (g/mol): 456.71 InChI-Schlüssel: QGJZLNKBHJESQX-FZFNOLFKSA-N PubChem CID: 64971 ChEBI: CHEBI:3087

InChI-Schlüssel QGJZLNKBHJESQX-FZFNOLFKSA-N
PubChem CID 64971
CAS 472-15-1
ChEBI CHEBI:3087
Molekulargewicht (g/mol) 456.71
Summenformel C30H48O3
2

Oleanolsäure, 98 %, Thermo Scientific Chemicals

CAS: 508-02-1 Summenformel: C30H48O3 Molekulargewicht (g/mol): 456.7 InChI-Schlüssel: MIJYXULNPSFWEK-GTOFXWBISA-N Synonym: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 IUPAC-Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChI-Schlüssel MIJYXULNPSFWEK-GTOFXWBISA-N
IUPAC-Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure
PubChem CID 10494
CAS 508-02-1
ChEBI CHEBI:37659
Molekulargewicht (g/mol) 456.7
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Synonym oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid
Summenformel C30H48O3
4

18-β-Glycyrrhetinsäure, +98 %, Thermo Scientific Chemicals

CAS: 471-53-4 Summenformel: C30H46O4 Molekulargewicht (g/mol): 470.69 MDL-Nummer: MFCD00003706,MFCD00066716 InChI-Schlüssel: MPDGHEJMBKOTSU-YKLVYJNSSA-N Synonym: enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid PubChem CID: 10114 ChEBI: CHEBI:30853 IUPAC-Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-Carbonsäure SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O

InChI-Schlüssel MPDGHEJMBKOTSU-YKLVYJNSSA-N
IUPAC-Name (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-Carbonsäure
PubChem CID 10114
CAS 471-53-4
ChEBI CHEBI:30853
MDL-Nummer MFCD00003706,MFCD00066716
Molekulargewicht (g/mol) 470.69
SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Synonym enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid
Summenformel C30H46O4
5

Oleanolsäure, 98,4 % (HPLC), MP Biomedicals

CAS: 508-02-1 Summenformel: C30H48O3 Molekulargewicht (g/mol): 456.711 InChI-Schlüssel: MIJYXULNPSFWEK-GTOFXWBISA-N Synonym: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 IUPAC-Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChI-Schlüssel MIJYXULNPSFWEK-GTOFXWBISA-N
IUPAC-Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure
PubChem CID 10494
CAS 508-02-1
ChEBI CHEBI:37659
Molekulargewicht (g/mol) 456.711
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Synonym oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid
Summenformel C30H48O3
6

Oleanolsäure, TRC

CAS: 508-02-1 Summenformel: C30 H48 O3 Molekulargewicht (g/mol): 456.7 Synonym: Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-,Olean-12-en-28-oic acid, 3β-hydroxy- (8CI),(3β)-3-Hydroxyolean-12-en-28-oic acid,(+)-Oleanolic acid,3β-Hydroxyolean-12-en-28-oic acid,Astrantiagenin C,Caryophyllin,Giganteumgenin C,Gledigenin 1,NSC 114945,Oleanic acid,Oleanolic acid,Oleonolic acid,Virgaureagenin B IUPAC-Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O

IUPAC-Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-carbonsäure
CAS 508-02-1
Molekulargewicht (g/mol) 456.7
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Synonym Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-,Olean-12-en-28-oic acid, 3β-hydroxy- (8CI),(3β)-3-Hydroxyolean-12-en-28-oic acid,(+)-Oleanolic acid,3β-Hydroxyolean-12-en-28-oic acid,Astrantiagenin C,Caryophyllin,Giganteumgenin C,Gledigenin 1,NSC 114945,Oleanic acid,Oleanolic acid,Oleonolic acid,Virgaureagenin B
Summenformel C30 H48 O3
7

Medikagensäure, TRC

CAS: 599-07-5 Summenformel: C30H46O6 Molekulargewicht (g/mol): 502.68 Synonym: (2beta,3beta,4alpha)-2,3-dihydroxy-Olean-12-ene-23,28-dioic acid,2beta,3beta-dihydroxy-Olean-12-ene-23,28-dioic acid,(2beta,3beta,4alpha)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid,2beta,3beta-Dihydroxyolean-12-en-23,28-dioic acid,Castanogenin,Medicogenic acid,NSC 382024 IUPAC-Name: (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-Dihydroxy-4,6a,6b,11,11,14b-Hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4,8a-Dicarboxylsäure SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2C1)C(=O)O

IUPAC-Name (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-Dihydroxy-4,6a,6b,11,11,14b-Hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4,8a-Dicarboxylsäure
CAS 599-07-5
Molekulargewicht (g/mol) 502.68
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2C1)C(=O)O
Synonym (2beta,3beta,4alpha)-2,3-dihydroxy-Olean-12-ene-23,28-dioic acid,2beta,3beta-dihydroxy-Olean-12-ene-23,28-dioic acid,(2beta,3beta,4alpha)-2,3-Dihydroxyolean-12-ene-23,28-dioic acid,2beta,3beta-Dihydroxyolean-12-en-23,28-dioic acid,Castanogenin,Medicogenic acid,NSC 382024
Summenformel C30H46O6
8

Maslinsäure, TRC

CAS: 4373-41-5 Summenformel: C30 H48 O4 Molekulargewicht (g/mol): 472.7 Synonym: Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)-,Maslinic acid (6CI),Olean-12-en-28-oic acid, 2α,3β-dihydroxy- (7CI,8CI),(2α,3β)-2,3-Dihydroxyolean-12-en-28-oic acid,2α,3β-Dihydroxyloleanolic acid,2α,3β-Dihydroxyolean-12-en-28-oic acid,2α-Hydroxyoleanolic acid,Crataegolic acid,Crategolic acid,Masilinic acid,Maslic acid IUPAC-Name: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-Carbonsäure SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O

IUPAC-Name (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-Dihydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-Carbonsäure
CAS 4373-41-5
Molekulargewicht (g/mol) 472.7
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Synonym Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3β)-,Maslinic acid (6CI),Olean-12-en-28-oic acid, 2α,3β-dihydroxy- (7CI,8CI),(2α,3β)-2,3-Dihydroxyolean-12-en-28-oic acid,2α,3β-Dihydroxyloleanolic acid,2α,3β-Dihydroxyolean-12-en-28-oic acid,2α-Hydroxyoleanolic acid,Crataegolic acid,Crategolic acid,Masilinic acid,Maslic acid
Summenformel C30 H48 O4
9

Pachymsäure, TRC

CAS: 29070-92-6 Summenformel: C33 H52 O5 Molekulargewicht (g/mol): 528.76 Synonym: Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3β,16α)-,Eburica-8,24(28)-dien-21-oic acid, 3β,16α-dihydroxy-, 3-acetate (6CI),Lanost-8-en-21-oic acid, 3β,16α-dihydroxy-24-methylene-, 3-acetate (8CI),(3β,16α)-3-(Acetyloxy)-16-hydroxy-24-methylenelanost-8-en-21-oic acid,3-O-Acetyltumulosic acid,NSC 244427,Pachymic acid IUPAC-Name: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptansäure SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC3)C(=O)O

IUPAC-Name (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-Acetyloxy-16-hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptansäure
CAS 29070-92-6
Molekulargewicht (g/mol) 528.76
SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC3)C(=O)O
Synonym Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3β,16α)-,Eburica-8,24(28)-dien-21-oic acid, 3β,16α-dihydroxy-, 3-acetate (6CI),Lanost-8-en-21-oic acid, 3β,16α-dihydroxy-24-methylene-, 3-acetate (8CI),(3β,16α)-3-(Acetyloxy)-16-hydroxy-24-methylenelanost-8-en-21-oic acid,3-O-Acetyltumulosic acid,NSC 244427,Pachymic acid
Summenformel C33 H52 O5
10

Betulinsäure, TRC

CAS: 472-15-1 Summenformel: C30 H48 O3 Molekulargewicht (g/mol): 456.7 Synonym: (3β)-3-Hydroxy-lup-20(29)-en-28-oic acid,Lup-20(29)-en-28-oic acid, 3β-hydroxy- (8CI),Mairin (6CI,7CI),3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.,(+)-Betulinic acid,3β-Hydroxylup-20(29)-en-28-oic acid,Betulic acid,Betulinic acid,Lupatic acid,NSC 113090,β-Betulinic acid IUPAC-Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-Pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]Chrysen-3a-Carbonsäure SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O

IUPAC-Name (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-Pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]Chrysen-3a-Carbonsäure
CAS 472-15-1
Molekulargewicht (g/mol) 456.7
SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Synonym (3β)-3-Hydroxy-lup-20(29)-en-28-oic acid,Lup-20(29)-en-28-oic acid, 3β-hydroxy- (8CI),Mairin (6CI,7CI),3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.,(+)-Betulinic acid,3β-Hydroxylup-20(29)-en-28-oic acid,Betulic acid,Betulinic acid,Lupatic acid,NSC 113090,β-Betulinic acid
Summenformel C30 H48 O3
11

Ganodersäure B, TRC

CAS: 81907-61-1 Summenformel: C30 H44 O7 Molekulargewicht (g/mol): 516.67 Synonym: (3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic Acid IUPAC-Name: (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-Dihydroxy-4,4,10,13,14-Pentamethyl-11,15-Dioxo-2,3,5,6,7,12,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-yl]-2-Methyl-4-oxo-Heptanosäure SMILES: C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O

IUPAC-Name (2R,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-Dihydroxy-4,4,10,13,14-Pentamethyl-11,15-Dioxo-2,3,5,6,7,12,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-yl]-2-Methyl-4-oxo-Heptanosäure
CAS 81907-61-1
Molekulargewicht (g/mol) 516.67
SMILES C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4C[C@@H]3O
Synonym (3β,7β,25R)-3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic Acid
Summenformel C30 H44 O7
12

3-Acetyl-11-Keto-Beta-Boswellsäure, TRC

CAS: 67416-61-9 Summenformel: C32 H48 O5 Molekulargewicht (g/mol): 512.72 Synonym: 3-O-Acetyl-11-keto-β-boswellic Acid IUPAC-Name: (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-Acetyloxy-4,6a,6b,8a,11,12,14b-Heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-4-Carboxylsäure SMILES: C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)[C@@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2[C@H]1C

IUPAC-Name (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-Acetyloxy-4,6a,6b,8a,11,12,14b-Heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-4-Carboxylsäure
CAS 67416-61-9
Molekulargewicht (g/mol) 512.72
SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)[C@@](C)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2[C@H]1C
Synonym 3-O-Acetyl-11-keto-β-boswellic Acid
Summenformel C32 H48 O5
13

Carbenoxolon, TRC

CAS: 5697-56-3 Summenformel: C34 H50 O7 Molekulargewicht (g/mol): 570.76 Synonym: Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3β,20β)-,Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate (7CI,8CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, succinate (6CI),(3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid,3-O-(β-Carboxypropionyl)-11-oxo-18β-olean-12-en-30-oic acid,3β-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate,Biogastrone,Carbenoxolone,Glycyrrhetinic acid hydrogen succinate,Glycyrrhetinic acid succinate IUPAC-Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-Carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-Heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-Dodecahydro-1H-Picen-2-Carbonsäure SMILES: CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O

IUPAC-Name (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-Carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-Heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-Dodecahydro-1H-Picen-2-Carbonsäure
CAS 5697-56-3
Molekulargewicht (g/mol) 570.76
SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O
Synonym Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3β,20β)-,Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate (7CI,8CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, succinate (6CI),(3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid,3-O-(β-Carboxypropionyl)-11-oxo-18β-olean-12-en-30-oic acid,3β-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate,Biogastrone,Carbenoxolone,Glycyrrhetinic acid hydrogen succinate,Glycyrrhetinic acid succinate
Summenformel C34 H50 O7
14

Carbenoxolon Disodium, TRC

CAS: 7421-40-1 Summenformel: C34 H48 O7 . 2 Na Molekulargewicht (g/mol): 614.72 Synonym: Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, sodium salt (1:2), (3β,20β)-,Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3β,20β)- (9CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate, disodium salt (7CI,8CI),3-(Succinyloxy)glycyrrhetic acid disodium salt,Bioral,Carbenoxalone disodium salt,Carbenoxalone sodium,Carbenoxolone disodium,Carbenoxolone disodium salt,Carbenoxolone sodium,Carbenoxolone sodium salt,Disodium glycyrrhetic acid hemisuccinate,Disodium glycyrrhetinyl succinate,Duogastrone,Glycyrrhetic acid hydrosuccinate disodium salt,Glycyrrhetinic acid hydrogen succinate disodium salt,Glycyrrhetinic acid succinate disodium salt,Neogel,Pyrogastrone,Sanodin,Sodium carbenoxolone,Ulcus-Tablinen IUPAC-Name: Disodium; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-Carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-Heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-Carboxylat SMILES: [Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-])OC(=O)CCC(=O)[O-]

IUPAC-Name Disodium; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-Carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-Heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-2-Carboxylat
CAS 7421-40-1
Molekulargewicht (g/mol) 614.72
SMILES [Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)[O-])OC(=O)CCC(=O)[O-]
Synonym Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, sodium salt (1:2), (3β,20β)-,Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3β,20β)- (9CI),Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate, disodium salt (7CI,8CI),3-(Succinyloxy)glycyrrhetic acid disodium salt,Bioral,Carbenoxalone disodium salt,Carbenoxalone sodium,Carbenoxolone disodium,Carbenoxolone disodium salt,Carbenoxolone sodium,Carbenoxolone sodium salt,Disodium glycyrrhetic acid hemisuccinate,Disodium glycyrrhetinyl succinate,Duogastrone,Glycyrrhetic acid hydrosuccinate disodium salt,Glycyrrhetinic acid hydrogen succinate disodium salt,Glycyrrhetinic acid succinate disodium salt,Neogel,Pyrogastrone,Sanodin,Sodium carbenoxolone,Ulcus-Tablinen
Summenformel C34 H48 O7 . 2 Na
15

Celastrol, TRC

CAS: 34157-83-0 Summenformel: C29 H38 O4 Molekulargewicht (g/mol): 450.61 Synonym: 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, (9β,13α,14β,20α)-,24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo- (7CI,8CI),D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20α)-,(9β,13α,14β,20α)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid,2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)-,2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, [2R-(2α,4aβ,6aβ,12bβ,14aα,14bβ)]-,Celastrol,NSC 70931,Tripterin IUPAC-Name: (2R,4aS,6aR,6aS,14aS,14bR)-10-Hydroxy-2,4a,6a,6a,9,14a-Hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-Octahydropicen-2-Carbonsäure SMILES: C[C@@]12[C@]([C@@]3([H])[C@@](CC1)(CC[C@](C)(C3)C(O)=O)C)(CC[C@@]4(C2=CC=C5C4=CC(C(O)=C5C)=O)C)C

IUPAC-Name (2R,4aS,6aR,6aS,14aS,14bR)-10-Hydroxy-2,4a,6a,6a,9,14a-Hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-Octahydropicen-2-Carbonsäure
CAS 34157-83-0
Molekulargewicht (g/mol) 450.61
SMILES C[C@@]12[C@]([C@@]3([H])[C@@](CC1)(CC[C@](C)(C3)C(O)=O)C)(CC[C@@]4(C2=CC=C5C4=CC(C(O)=C5C)=O)C)C
Synonym 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, (9β,13α,14β,20α)-,24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo- (7CI,8CI),D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20α)-,(9β,13α,14β,20α)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid,2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, (2R,4aS,6aS,12bR,14aS,14bR)-,2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, [2R-(2α,4aβ,6aβ,12bβ,14aα,14bβ)]-,Celastrol,NSC 70931,Tripterin
Summenformel C29 H38 O4