Products 28071-17-2

CAS 28071-17-2 is the registry number for Methyl 3,6-dihydroxy-7-oxo-cholan-24-oic Acid Ester. Offered by: TRC. Available pack sizes: 100mg.

Methyl 3,6-dihydroxy-7-oxo-cholan-24-oic Acid Ester
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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 28071-17-2) is a chemical compound with the molecular formula C25H40O5 and a molecular weight of 420.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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: RYTXBFUFNOVAOB-WKGRRQNDSA-N.

Identity
Molecular formulaC25H40O5
Molecular weight420.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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
InChIKeyRYTXBFUFNOVAOB-WKGRRQNDSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3,6-dihydroxy-7-oxo-cholan-24-oic Acid Ester
Isomers (same molecular formula)
bis(2-ethylhexyl) 4-(hydroxymethyl)benzene-1,2-dicarboxylate C25H40O5
methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-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 C25H40O5
methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-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 C25H40O5
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 C25H40O5