3Alpha,12Alpha-Dihydroxy-5Beta-chol-9(11)-enic Acid

Analyte Name

3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-enic Acid

CAS Number

24637-46-5

Molecular Formula

C24 H38 O4

Molecular Weight

390.56

Accurate Mass

390.277

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)C3=C[C@H](O)[C@]12C

InChI

InChI=1S/C24H38O4/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/h13-19,21,25-26H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,21+,23+,24-/m1/s1

IUPAC

(4R)-4-[(3R,5R,8S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Cholic acid

Purity

>95% (HPLC)