3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic Acid

Product Specifications

CAS Number

2304-89-4

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

C[C@]12CCC(=O)C[C@H]1C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](O)CCC(=O)O)[C@@]4(C)[C@@H](O)C[C@H]23

Molecular Formula

C23 H36 O6

Molecular Weight

408.53

InChI

InChI=1S/C23H36O6/c1-22-8-7-13(24)9-12(22)10-18(26)21-15-4-3-14(17(25)5-6-20(28)29)23(15,2)19(27)11-16(21)22/h12,14-19,21,25-27H,3-11H2,1-2H3,(H,28,29)/t12-,14+,15-,16-,17+,18+,19-,21-,22-,23+/m0/s1

Additionnal Information

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