Products 911-40-0

CAS 911-40-0 appears in our catalog under these names: Cholic Acid Impurity 12 (7-Ketodeoxycholic Acid), 7-Keto-3alpha,12-alpha-dihydroxycholanic Acid, 7-Keto-3a,12-a-dihydroxycholanic Acid, 7-Keto-3α,12-α-dihydroxycholanic Acid, 7–Ketodeoxycholic acid. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 100mg, 250mg, 50mg, 10mg, 5mg, 25mg, 200mg.

3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid and a 7-oxo steroid. It is a conjugate acid of a 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate.

Source: ChEBI

Identity
Molecular formulaC24H38O5
Molecular weight406.6 g/mol
IUPAC name(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyRHCPKKNRWFXMAT-RRWYKFPJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)