Products 7443-91-6

CAS 7443-91-6 is the registry number for 3α-Acetyloxy-7α,12α-dihydroxy-5β-cholan-24-oic acid methyl ester, 98%. Offered by: Chemat. Available pack sizes: 10mg.

3α-Acetyloxy-7α,12α-dihydroxy-5β-cholan-24-oic acid methyl ester, 98%
Chemat
  • size: 10mg
  • Variants: 1
from 909.20
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Structural formula: {0} (CAS {1})

Methyl 4-(3-acetyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (CAS 7443-91-6) is a chemical compound with the molecular formula C27H44O6 and a molecular weight of 464.6 g/mol. IUPAC name: methyl 4-(3-acetyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate. InChIKey: RYUNWMNMODIREU-UHFFFAOYSA-N.

Identity
Molecular formulaC27H44O6
Molecular weight464.6 g/mol
IUPAC namemethyl 4-(3-acetyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
InChIKeyRYUNWMNMODIREU-UHFFFAOYSA-N
SMILESCC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3-(acetyloxy)-7,12-dihydroxycholan-24-oate, 3|A-Acetyloxy-7|A,12|A-dihydroxy-5|A-cholan-24-oic acid methyl ester
Isomers (same molecular formula)
ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate C27H44O6
(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O6
(2S,3S,4S,6R)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol C27H44O6
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O6
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14R,16S,17S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16,17,18-tetrol C27H44O6
2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid C27H44O6
(3S,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O6
(2S,3R,5R,9R,10R,13S,14R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one C27H44O6