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Benzopyrane

Organische polyzyklische Verbindungen, die aus einem mit einem heterozyklischen Pyranring fusionierten Benzol bestehen; Pyranringe sind sechsgliedrige, nicht aromatische Ringe mit fünf Kohlenstoffatomen, einem Sauerstoffatom und zwei Doppelbindungen.
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1

3-Isochromanon, Thermo Scientific Chemicals

CAS: 4385-35-7 Summenformel: C9H8O2 Molekulargewicht (g/mol): 148.16 InChI-Schlüssel: ILHLUZUMRJQEAH-UHFFFAOYSA-N IUPAC-Name: 3,4-Dihydro-1H-2-benzopyran-3-on SMILES: O=C1CC2=CC=CC=C2CO1

InChI-Schlüssel ILHLUZUMRJQEAH-UHFFFAOYSA-N
IUPAC-Name 3,4-Dihydro-1H-2-benzopyran-3-on
CAS 4385-35-7
Molekulargewicht (g/mol) 148.16
SMILES O=C1CC2=CC=CC=C2CO1
Summenformel C9H8O2
3

Citrinin, MP Biomedicals™

CAS: 518-75-2 Summenformel: C13H14O5 Molekulargewicht (g/mol): 250.25 InChI-Schlüssel: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: 3R,4S-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3H-2-Benzopyran-7-carbonsäure, 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3R-trans-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC-Name: (3R,4S)-6-Hydroxy-3,4,5-Trimethyl-8-Oxo-3,4-Dihydroisochromen-7-Carbonsäure SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

InChI-Schlüssel CBGDIJWINPWWJW-IYSWYEEDSA-N
IUPAC-Name (3R,4S)-6-Hydroxy-3,4,5-Trimethyl-8-Oxo-3,4-Dihydroisochromen-7-Carbonsäure
PubChem CID 54680783
CAS 518-75-2
Molekulargewicht (g/mol) 250.25
SMILES CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
Synonym 3R,4S-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3H-2-Benzopyran-7-carbonsäure, 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3R-trans-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid
Summenformel C13H14O5
4

Xanthon, TRC

CAS: 90-47-1 Summenformel: C13 H8 O2 Molekulargewicht (g/mol): 196.2 Synonym: Xanthen-9-one (8CI),9-Oxoxanthene,9-Xanthone,9H-Xanthene, 9-oxo-,Benzophenone oxide,Dibenzo-γ-pyrone,Diphenylene ketone oxide,Genicide,NSC 14978,Xanthenone,Xanthone IUPAC-Name: Xanthen-9-on SMILES: O=C1c2ccccc2Oc3ccccc13

IUPAC-Name Xanthen-9-on
CAS 90-47-1
Molekulargewicht (g/mol) 196.2
SMILES O=C1c2ccccc2Oc3ccccc13
Synonym Xanthen-9-one (8CI),9-Oxoxanthene,9-Xanthone,9H-Xanthene, 9-oxo-,Benzophenone oxide,Dibenzo-γ-pyrone,Diphenylene ketone oxide,Genicide,NSC 14978,Xanthenone,Xanthone
Summenformel C13 H8 O2
6

Mangiferin, TRC

CAS: 4773-96-0 Summenformel: C19 H18 O11 Molekulargewicht (g/mol): 422.34 Synonym: 9H-Xanthen-9-one, 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-,Mangiferin (6CI,7CI,8CI),1,3,6,7-Tetrahydroxyxanthone-C2-β-D-glucoside,2-C-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone,2-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one,Alpizarin,Alpizarine,Aphloiol,Chinomin,Chinonin,Hedysarid,NSC 248870,Shamimin IUPAC-Name: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-eins SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O

IUPAC-Name 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-eins
CAS 4773-96-0
Molekulargewicht (g/mol) 422.34
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O
Synonym 9H-Xanthen-9-one, 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-,Mangiferin (6CI,7CI,8CI),1,3,6,7-Tetrahydroxyxanthone-C2-β-D-glucoside,2-C-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone,2-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one,Alpizarin,Alpizarine,Aphloiol,Chinomin,Chinonin,Hedysarid,NSC 248870,Shamimin
Summenformel C19 H18 O11
7

2',7'-Dichlorfluorescein-Diacetat, TRC

CAS: 2044-85-1 Summenformel: C24H14Cl2O7 Molekulargewicht (g/mol): 485.27 Synonym: MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one SMILES: CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl

CAS 2044-85-1
Molekulargewicht (g/mol) 485.27
SMILES CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl
Synonym MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Summenformel C24H14Cl2O7
8

(-)-Altenuene, TRC

CAS: 889101-41-1 Summenformel: C15H16O6 Molekulargewicht (g/mol): 292.28 Synonym: 6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-,(2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-6H-dibenzo[b,d]pyran-6-one,(-)-Altenuene SMILES: COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1

CAS 889101-41-1
Molekulargewicht (g/mol) 292.28
SMILES COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1
Synonym 6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-,(2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-6H-dibenzo[b,d]pyran-6-one,(-)-Altenuene
Summenformel C15H16O6
10

Hämatoxylin (Technische Qualität), TRC

CAS: 517-28-2 Summenformel: C16 H14 O6 Molekulargewicht (g/mol): 302.279 Synonym: Hematoxylin IUPAC-Name: (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]Chromene-3,4,6a,9,10-pentol SMILES: Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O

IUPAC-Name (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]Chromene-3,4,6a,9,10-pentol
CAS 517-28-2
Molekulargewicht (g/mol) 302.279
SMILES Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O
Synonym Hematoxylin
Summenformel C16 H14 O6
11

2-(Chroman-4-yl)essigsäure, TRC

CAS: 5655-26-5 Summenformel: C11H12O3 Molekulargewicht (g/mol): 192.21 IUPAC-Name: 2-(3,4-Dihydro-2H-Chromen-4-yl)essigsäure SMILES: OC(=O)CC1CCOc2ccccc12

IUPAC-Name 2-(3,4-Dihydro-2H-Chromen-4-yl)essigsäure
CAS 5655-26-5
Molekulargewicht (g/mol) 192.21
SMILES OC(=O)CC1CCOc2ccccc12
Summenformel C11H12O3
12

N-Benzyl (-)-Nebivolol, TRC

CAS: 1199945-26-0 Summenformel: C29H31F2NO4 Molekulargewicht (g/mol): 495.56 Synonym: (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol; IUPAC-Name: (1S)-2-[Benzyl-[(2S)-2-[(2S)-6-Fluor-3,4-dihydro-2H-Chromen-2-yl]-2-Hydroxyethyl]Amino]-1-[(2R)-6-Fluoro-3,4-Dihydro-2H-Chromen-2-yl]ethanol SMILES: C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O)O

IUPAC-Name (1S)-2-[Benzyl-[(2S)-2-[(2S)-6-Fluor-3,4-dihydro-2H-Chromen-2-yl]-2-Hydroxyethyl]Amino]-1-[(2R)-6-Fluoro-3,4-Dihydro-2H-Chromen-2-yl]ethanol
CAS 1199945-26-0
Molekulargewicht (g/mol) 495.56
SMILES C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O)O
Synonym (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol;
Summenformel C29H31F2NO4
13

2-[(5-Fluoresceinyl)aminocarbonyl]ethylethyl, TRC

CAS: 351330-42-2 Summenformel: C24 H19 N O8 S2 Molekulargewicht (g/mol): 513.54 IUPAC-Name: N-(3',6'-Dihydroxy-3-oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)-3-Methylsulfonylsulfanylpropanamid SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

IUPAC-Name N-(3',6'-Dihydroxy-3-oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)-3-Methylsulfonylsulfanylpropanamid
CAS 351330-42-2
Molekulargewicht (g/mol) 513.54
SMILES CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
Summenformel C24 H19 N O8 S2
14

Diethylkromoglikat, TRC

CAS: 16150-45-1 Summenformel: C27 H24 O11 Molekulargewicht (g/mol): 524.47 Synonym: Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate) IUPAC-Name: Ethyl 5-[3-(2-Ethoxycarbonyl-4-Oxochromen-5-yl)Oxy-2-Hydroxypropoxid]-4-Oxochromin-2-Carboxylat SMILES: CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1

IUPAC-Name Ethyl 5-[3-(2-Ethoxycarbonyl-4-Oxochromen-5-yl)Oxy-2-Hydroxypropoxid]-4-Oxochromin-2-Carboxylat
CAS 16150-45-1
Molekulargewicht (g/mol) 524.47
SMILES CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1
Synonym Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)
Summenformel C27 H24 O11
15

LY 294002, TRC

CAS: 154447-36-6 Summenformel: C19H17NO3 Molekulargewicht (g/mol): 307.34 Synonym: NSC 697286,SF 1101,8-Phenyl-2-(morpholin-4-yl)-chromen-4-one,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2-Morpholino-8-phenyl-4H-chromen-4-one SMILES: COC(=O)C[C@@H](Br)C(=O)OC

CAS 154447-36-6
Molekulargewicht (g/mol) 307.34
SMILES COC(=O)C[C@@H](Br)C(=O)OC
Synonym NSC 697286,SF 1101,8-Phenyl-2-(morpholin-4-yl)-chromen-4-one,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2-Morpholino-8-phenyl-4H-chromen-4-one
Summenformel C19H17NO3