3,12-Dihydroxy-5-cholenoic acid

(4R)-4-[(3S,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Also Known As: 3,12-DHCOA|3,12-Dihydroxy-5-cholenoic acid|Deoxycholic Acid Impurity 83|3beta,12alpha-Dihydroxychol-5-en-24-oic Acid|3,12-dihydroxy-5-cholenoicacid|3,12-dihydroxychol-5-en-24-oic acid|3beta,12alpha-Dihydroxychol-5-enoic acid|3 beta,12 alpha-dihydroxychol-5-enoic acid|3-beta,12-alpha-Dihydroxy-5-cholen-24-oic acid|3beta,12alpha-dihydroxy-5-cholen-24-oic acid|(4R)-4-[(3S,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|Chol-5-en-24-oic acid, 3,12-dihydroxy-, (3beta,12alpha)-|(4R)-4-[(1R,3aS,3bR,7S,9aR,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid|(R)-4-((3S,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Molecular Formula	C24H38O4
Molecular Weight	390.277 g/mol
LogP	4.398
Topological Polar Surface Area	77.76 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	390.277
Monoisotopic Mass	390.277
Heavy Atoms	28
Complexity	656.9906

Chemical Identifiers

CAS Number	63266-92-2
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C