(3β,5β,12α)-3,12-Dihydroxycholan-24-oic Acid

Product Specifications

CAS Number

570-63-8

Synonyms

(3beta,5beta,12alpha)-3,12-Dihydroxycholan-24-oic Acid; Cholan-24-oic acid, 3,12-dihydroxy-, (3β,5β,12α)-; 5β-Cholan-24-oic acid, 3β,12α-dihydroxy- (8CI); 5β-Cholanic acid, 3β,12α-dihydroxy- (7CI); (3β,5β,12α)-3,12-Dihydroxycholan-24-oic acid; 3-Epideoxycholic acid; 3β,12α-Dihydroxy-5β-cholan-24-oic acid; 3β,1

Hazard Statement

No Data Available

Smiles

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

Molecular Formula

C24 H40 O4

Molecular Weight

392.572

InChI

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1

Additionnal Information

IUPAC name: (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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