3-Oxo-7Beta-hydroxy-5Beta-cholanoic Acid

Analyte Name

3-Oxo-7beta-hydroxy-5beta-cholanoic Acid

CAS Number

77060-26-5

Molecular Formula

C24H38O5

Molecular Weight

390.56

Accurate Mass

390.277

SMILES

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

InChI

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20+,22+,23+,24-/m1/s1

IUPAC

(4R)-4-[(5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ursodeoxycholic Acid

Purity

>95% (HPLC)