Ursocholic acid

(4R)-4-[(3R,5S,7S,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

Also Known As: ursocholic acid|7-Epicholic acid|Ursocholate|7-epicholate|7b-Hydroxyisocholate|7b-Hydroxyisocholic acid|7beta-Hydroxyisocholic acid|3a,7b,12a-Trihydroxycholanate|Ursodeoxycholic Acid EP Impurity D|3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid|KST-1A3619|3a,7b,12a-Trihydroxycholanic acid|3a,7b,12a-Trihydroxy-5b-cholanate|3a,7b,12a-Trihydroxy-5b-cholanic acid|3a,7b,12a-Trihydroxy-5b-cholanoate|URSOCHOLIC ACID [EP IMPURITY]|CS-T-62664|3a,7b,12a-Trihydroxy-5b-cholanoic acid|Potassium diphenylbis(pyrazol-1-yl)borate|3a,7b,12a-Trihydroxy-5b-cholan-24-oic acid|Ursocholic Acid, 95% - 100MG 100mg|3a,7b,12a-Trihydroxy-5b-cholan-24-oate|3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid

Molecular Formula	C24H40O5
Molecular Weight	408.28757 g/mol
LogP	3.45
Topological Polar Surface Area	97.99 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	408.28757
Heavy Atoms	29
Complexity	636.8

Chemical Identifiers

CAS Number	2955-27-3
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