Products 4947-65-3

CAS 4947-65-3 is the registry number for 7α,12α-Diacetoxy-3-oxo-5β-cholan-24-oic acid methyl ester, 98%. Offered by: Chemat. Available pack sizes: 10mg.

7α,12α-Diacetoxy-3-oxo-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-(7,12-diacetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate (CAS 4947-65-3) is a chemical compound with the molecular formula C29H44O7 and a molecular weight of 504.7 g/mol. IUPAC name: methyl 4-(7,12-diacetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate. InChIKey: KTOYRTMQPLELSO-UHFFFAOYSA-N.

Identity
Molecular formulaC29H44O7
Molecular weight504.7 g/mol
IUPAC namemethyl 4-(7,12-diacetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
InChIKeyKTOYRTMQPLELSO-UHFFFAOYSA-N
SMILESCC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)OC(=O)C)OC(=O)C)C

Computed by PubChem (NCBI)

Synonyms: 7|A,12|A-Diacetoxy-3-oxo-5|A-cholan-24-oic acid methyl ester
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C29H44O7
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C29H44O7
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C29H44O7