Products 5969-28-8
CAS 5969-28-8 appears in our catalog under these names: 12Alpha-Deoxycholic Acid Methyl Ester 3Alpha-Benzoate, 12a-Deoxycholic Acid Methyl Ester 3a-Benzoate. Offered by: TRC. Available pack sizes: 100mg, 250mg, 50mg.
[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate (CAS 5969-28-8) is a chemical compound with the molecular formula C32H46O5 and a molecular weight of 510.7 g/mol. IUPAC name: [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate. InChIKey: WODXMQWAKLTMLB-PDORAURZSA-N.
| Molecular formula | C32H46O5 |
|---|---|
| Molecular weight | 510.7 g/mol |
| IUPAC name | [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate |
| InChIKey | WODXMQWAKLTMLB-PDORAURZSA-N |
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C5=CC=CC=C5)C)O)C |
Computed by PubChem (NCBI)