Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate
methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
Also Known As: Mohdop|methyl 17-deoxyprednisolonate|Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate|methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate|Methyl (11beta)-11-hydroxy-3,20-dioxopregna-1,4-dien-21-oate|Methyl 11-hydroxy-3,20-dioxopregna-1,4-dien-21-oate|methyl 11|A-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate|Methyl 11beta-hydroxy-3,20-dioxopregna-1,4-dien-21-oate|methyl(11|A)-11-hydroxy-3,20-dioxopregna-1,4-dien-21-oate|Methyl 2-[(8S,9S,10R,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate|Pregna-1,4-dien-21-oic acid, 11-hydroxy-3,20-dioxo-, methyl ester, (11beta)-
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19366 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.19366 |
| Monoisotopic Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 6318-87-2 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(=O)OC)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | JZCOBGHTAHKMBZ-CNUHWHHESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 11-hydroxy-3,20-dioxo-1,4-pregnadien-21-oate (CAS 6318-87-2), with molecular formula C22H28O5 and molecular weight 372.19366 g/mol. IUPAC: methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate.