CAS 2304-89-4 appears in our catalog under these names: 3-Oxo Deoxycholic Acid, 3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic Acid, >95% (HPLC), 3-Oxo-7a,12a-hydroxy-5b-cholanoic Acid, >95% (HPLC), 3-Oxocholic acid/ 99.63% (existing batch purity), 3–Oxocholic Acid. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 1g, 2,5g, 250mg, 5mg, 10mg, 25mg, 50mg.
7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid is a 3-oxo steroid that is cholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid, a dihydroxy-5beta-cholanic acid, a bile acid, a 7alpha-hydroxy steroid and a 12alpha-hydroxy steroid. It is a conjugate acid of a 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate.
Source: ChEBI
| Molecular formula | C24H38O5 |
|---|---|
| Molecular weight | 406.6 g/mol |
| IUPAC name | (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoic acid |
| InChIKey | OEKUSRBIIZNLHZ-DJDNIQJZSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C |
Computed by PubChem (NCBI)