Cholate

Type : Natural, Steroid, Phenanthrene

Chemical_Nomenclature : (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

Canonical SMILES : CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChI : InChI=1S\/C24H40O5\/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26\/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)\/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-\/m1\/s1

InChIKey : BHQCQFFYRZLCQQ-OELDTZBJSA-N

Other name(s) : Cholic acid  ||  Cholalic acid  ||  Cholalin  ||  Colalin

MW : 408.57

Formula : C24H40O5

CAS_number : 81-25-4

PubChem : 221493

UniChem : BHQCQFFYRZLCQQ-OELDTZBJSA-N