Prednisolone 17-acetate
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Prednisolone 17-acetate|Prednisolon-17-acetat|Budesonide Impurity 50|Prednisolone-17-acetate|Prednisolon-17|A-monoacetat|KST-1A5530|Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11beta)-|[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate|(11|A)-11,21-dihydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate|11,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate|11beta,21-Dihydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate|(11beta)-17-(Acetyloxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione|Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-, (11b)-|[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetate|Prednisolone 17-acetate; (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20422 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.20422 |
| Monoisotopic Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 53666-75-4 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO |
| InChIKey | YCEQGEMYOUCHON-JZYPGELDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prednisolone 17-acetate (CAS 53666-75-4), with molecular formula C23H30O6 and molecular weight 402.20422 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.