9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
Basic information
- CAS
52092-65-6- Standard SMILES
CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C- InChIKey
JKRMOSPJNPCGSZ-QNAHPZDQSA-N- Molecular formula
- C24H30O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.20932405
Names & identifiers
- Preferred name
- 9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
- IUPAC
- [2-oxo-2-[(1S,2S,10S,11S,13R,14S,15S,17S)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] acetate
- English name
- 9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
- Molecular formula
- C24H30O5
- Molecular weight
- 398.49
Names & synonyms
52092-65-69beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate[2-oxo-2-[(1S,2S,10S,11S,13R,14S,15S,17S)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] acetateDesoximetasone Impurity HEINECS 257-657-3HS2MB8WYZ9Desoximetasone EP Impurity HSCHEMBL11325098DTXSID00966450NS0005967316-Methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate16alpha-Methyl-3,20-dioxo-9beta,11beta-9,11-epoxypregna-1,4-dien-21-yl acetate
Show more names
Carbamazepine Impurity 51Desoximetasone Impurity 32Mometasone furoate impurity 5111,21-Didehydro-(9β,11β)-epoxy-21-(acetyloxy) Desoxymetasone11,21-Didehydro-(9b,11b)-epoxy-21-(acetyloxy) Desoxymetasone21-(Acetyloxy)-9β,11β-epoxy-16α-methylpregna-1,4-diene-3,20-dione9β,11β-epoxy-21-hydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-acetate
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 870
Chemistry & industry
Applications
Uses11,21-Didehydro-(9β,11β)-epoxy-21-(acetyloxy) Desoxymetasone-d3 is labelled 11,21-Didehydro-(9β,11β)-epoxy-21-(acetyloxy) Desoxymetasone (D439455), an impurity of Desoxymetasone (D296970) which is anti-inflammatory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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