Products 81873-91-8
CAS 81873-91-8 appears in our catalog under these names: 12-Ketoursodeoxycholic Acid, 12-Ketoursodeoxycholic Acid, >95% (HPLC). Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 10mg, 1mg, 5mg, 2mg, 25mg.
3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid that is ursodeoxycholic acid carrying an additional oxo substituent at position 12. It is an oxo-5beta-cholanic acid, a 7beta-hydroxy steroid, a 3alpha-hydroxy steroid and a 12-oxo steroid. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate.
Source: ChEBI
| Molecular formula | C24H38O5 |
|---|---|
| Molecular weight | 406.6 g/mol |
| IUPAC name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChIKey | MIHNUBCEFJLAGN-RAEYQWLJSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
Computed by PubChem (NCBI)
Synonyms:
12-ketoursodeoxycholic acid, 3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid, (3a,5ss,7ss)-3,7-Dihydroxy-12-oxo-cholan-24-oic Acid; SF 482, MIHNUBCEFJLAGN-RAEYQWLJSA-N, 12-keto-UDCA, 12-oxo-UDCA, 12-oxoursodeoxycholic acid, 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanic acid, Ursodeoxycholic acid impurity 63, Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3alpha,5beta,7beta)-