Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate
methyl (2R)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetate
Also Known As: Methyl 20-dihydroprednisolonate|Methyl 20alpha-dihydroprednisolonate|Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate|methyl 11|A,17|A,20-trihydroxy-3-oxo-1,4-pregnadien-21-oate|methyl 11|A,17|A,20|A-trihydroxy-3-oxo-1,4-pregnadiene-21-oate|methyl (20R)-11beta,17,20-trihydroxy-3-oxo-1,4-pregnadien-21-oate|Methyl 11beta,17alpha,20alpha-trihydroxy-3-oxo-1,4-pregnadien-21-oate|(20R)-11beta,17,20-Trihydroxy-3-oxopregna-1,4-dien-21-oic acid methyl ester|(20R)-11beta,17alpha,20-Trihydroxy-3-oxo-1,4-pregnadiene-21-oic acid methyl ester|(20R)-3-Oxo-11beta,17-dihydroxy-20-(hydroxy)pregna-1,4-diene-21-oic acid methyl ester|(20R)-3-Oxo-11beta,17alpha,20-trihydroxypregna-1,4-diene-21-oic acid methyl ester|methyl (2R)-2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxyacetate|methyl (2R)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetate
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20422 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.20422 |
| Monoisotopic Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 97232-42-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](C(=O)OC)O)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | KGGJWTUYUOSWNH-YQDIQNDHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate (CAS 97232-42-3), with molecular formula C22H30O6 and molecular weight 390.20422 g/mol. IUPAC: methyl (2R)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetate.
Methyl (11beta,20R)-11,17,20-trihydroxy-3-oxopregna-1,4-dien-21-oate is a custom synthesis product. We offer services from milligram to kilogram scale.
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