3-Beta-Cholic Acid

Product Specifications

CAS Number

3338-16-7

Synonyms

Cholan-24-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-; 5β-Cholan-24-oic acid, 3β,7α,12α-trihydroxy- (8CI); 5β-Cholanic acid, 3β,7α,12α-trihydroxy- (7CI); (3β,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid; 3-Epicholic acid; 3β,7α,12α-Trihydroxy-5β-cholanic acid; 3β,7α,12α-Trihydroxy-5β-cholanoic acid; 3β-Cholic acid

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Molecular Formula

C24 H40 O5

Molecular Weight

408.57

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

Additionnal Information

IUPAC name: (4R)-4-[(3S,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