Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
[(8R,9S,10R,13S,14S,17R)-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: 17-Aco-21-OHPDD|Prednisolone Impurity 19|11beta-Deoxyprednisolone 17-acetate|17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione|17,21-Dihydroxypregna-1,4-diene-3,20-dione 17-acetate|17alpha,21-Dihydroxypregna-1,4-diene-3,20-dione 17-acetate|Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-|21-Hydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate|(8R,9S,10R,13S,14S,17R)-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|[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate|(1R,3aS,3bR,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.20932 g/mol |
| LogP | 3.1576 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.20932 |
| Monoisotopic Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 794.8144 |
Chemical Identifiers
| CAS Number | 49751-53-3 |
|---|---|
| SMILES | CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)CO |
Product Overview
Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy- (CAS 49751-53-3), with molecular formula C23H30O5 and molecular weight 386.20932 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.