Products 77059-13-3
CAS 77059-13-3 is the registry number for Ursodeoxycholic Acid Impurity 36. Offered by: Chemat Brand. Available pack sizes: on request.
7beta-hydroxy-3-oxo-5alpha-cholan-24-oic acid is a bile acid that is 5alpha-cholan-24-oic acid carrying an oxo group at position 3 and a hydroxy group at position 7beta. It is a 3-oxo-5alpha-steroid, a bile acid, a 7beta-hydroxy steroid and a member of 5alpha-cholanic acids.
Source: ChEBI
| Molecular formula | C24H38O4 |
|---|---|
| Molecular weight | 390.6 g/mol |
| IUPAC name | (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 | KNVADAPHVNKTEP-VKBRWASDSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C |
Computed by PubChem (NCBI)
Synonyms:
7beta-hydroxy-3-oxo-5alpha-cholan-24-oic acid, (5alpha,7beta)-7-Hydroxy-3-oxocholan-24-oic acid, Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5alpha,7beta)-, 7-Hydroxy-3-oxocholanoic acid, Ursodeoxycholic Acid Impurity 36, (5alpha,7beta)-7-hydroxy-3-oxo-cholanoic acid, (5alpha,7beta)-7-hydroxy-3-oxo-cholan-24-oic acid, 7-hydroxy-3-oxo-(5alpha,7beta)-cholan-24-Oic acid, (5I+/-,7I(2))-7-Hydroxy-3-oxocholan-24-oic acid