Lithocholic Acid

Product Specifications

CAS Number

434-13-9

Synonyms

(3α,5β)-3-Hydroxycholan-24-oic acid; 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol; 3-Hydroxycholan-24-oic acid; 3α-Hydroxy-5β-cholan-24-oate; 3α-Hydroxy-5β-cholan-24-oic acid; 3α-Hydroxy-5β-cholanic acid; 3α-Hydroxy-5β-cholanoic acid; 3α-Hydroxycholanic acid; Lithocholic acid; NSC 683770; Chenodeoxycholic Acid Impurity C; Ursodeoxycholic Acid Impurity C

Hazard Statement

Suspected of causing genetic defects

Purity

>95% (HPLC)

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]3CC[C@]12C

Molecular Formula

C24 H40 O3

Molecular Weight

376.57

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

Additionnal Information

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