7alpha-hydroxy-3-oxo-5beta-Cholan-24-oic Acid

7alpha-hydroxy-3-oxo-5beta-Cholan-24-oic acid is a metabolite of chenodeoxycholic acid (Cay-35346, Cay-10011286). It is formed from chenodeoxycholic acid primarily by the cytochrome P450 (CYP) isoform CYP3A4 but also by CYP3A5 and other P450 enzymes at lower rates.Formal Name: (5beta)-7alpha-hydroxy-3-oxo-cholan-24-oic acid. CAS Number: 4185-00-6. Synonyms: 3-keto-7alpha-hydroxy-5beta-Cholanic Acid, 3-Oxochenodeoxycholic Acid. Molecular Formula: C24H38O4. Formula Weight: 390.6. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: 10 mg/ml, DMSO: 10 mg/ml, Ethanol: 10 mg/ml, Methanol: 10/mg/ml. lambdamax: 279 nm. SMILES: C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O. InChi Code: 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. InChi Key: KNVADAPHVNKTEP-CIGXQKLNSA-N.