Products 21066-20-6

CAS 21066-20-6 is the registry number for 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester, 98%. Offered by: Chemat. Available pack sizes: 10mg.

3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester, 98%
Chemat
  • size: 10mg
  • Variants: 1
from 1317.20
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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 (CAS 21066-20-6) is a chemical compound with the molecular formula C29H44O7 and a molecular weight of 504.7 g/mol. IUPAC name: 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. InChIKey: DATLSYWCILADOV-YQLBWAHWSA-N.

Identity
Molecular formulaC29H44O7
Molecular weight504.7 g/mol
IUPAC namemethyl (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
InChIKeyDATLSYWCILADOV-YQLBWAHWSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3alpha,12alpha-diacetyloxy-7-oxo-5beta-cholanate, 5beta-Cholanic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester, diacetate, Deoxycholic Acid Impurity 82, DATLSYWCILADOV-YQLBWAHWSA-, Ursodeoxycholic Acid impurity 83, DATLSYWCILADOV-YQLBWAHWSA-N, Methyl 3,12-bis(acetyloxy)-7-oxocholan-24-oate #
Isomers (same molecular formula)
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
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 C29H44O7