Products 459789-97-0
CAS 459789-97-0 appears in our catalog under these names: Obeticholic Acid Impurity 39, Obeticholic Acid Impurity 30. Offered by: Chemat Brand. Available pack sizes: on request.
Ethyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 459789-97-0) is a chemical compound with the molecular formula C28H46O4 and a molecular weight of 446.7 g/mol. IUPAC name: ethyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: PRZCLWHVOYRZJL-GAKWKJAJSA-N.
| Molecular formula | C28H46O4 |
|---|---|
| Molecular weight | 446.7 g/mol |
| IUPAC name | ethyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| InChIKey | PRZCLWHVOYRZJL-GAKWKJAJSA-N |
| SMILES | CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)OCC)C)C)O |
Computed by PubChem (NCBI)