cholic acid
Also known as CA, cholate, Cholbam, 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid, (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate, (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid,
Chemical data
- Formula
- C24H40O5
- Molecular weight
- 408.6 g/mol
- IUPAC name
- (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- SMILES
- C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
- InChIKey
- BHQCQFFYRZLCQQ-OELDTZBJSA-N
- XLogP
- 3.6
- Polar surface area
- 98 Ų
- H-bond donors
- 4
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem