CAS 81557-52-0 is the registry number for Euphoscopin B, 99.48%. Offered by: MedChemExpress. Available pack sizes: 1 mg, 10 mg, 5 mg.
[(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate (CAS 81557-52-0) is a chemical compound with the molecular formula C33H42O9 and a molecular weight of 582.7 g/mol. IUPAC name: [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate. InChIKey: JDXJTMWWGZXTGE-FVSNMVKCSA-N.
| Molecular formula | C33H42O9 |
|---|---|
| Molecular weight | 582.7 g/mol |
| IUPAC name | [(1S,2R,3aR,4R,5R,6Z,11R,12Z,13aS)-3a,4,11-triacetyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate |
| InChIKey | JDXJTMWWGZXTGE-FVSNMVKCSA-N |
| SMILES | C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(\[C@@H](CC(=O)C(/C=C\[C@H]([C@H]2OC(=O)C)C)(C)C)OC(=O)C)/C)OC(=O)C |
Computed by PubChem (NCBI)