9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
Basic information
- CAS
2135-16-2- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C- InChIKey
CPGKQIUXETTXGT-AGQVYWRLSA-N- Molecular formula
- C27H35FO6
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.24176699
Names & identifiers
- Preferred name
- 9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
- IUPAC
- [2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate
- English name
- 9beta,11beta-epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
- Molecular formula
- C27H35FO6
- Molecular weight
- 474.5616032
Names & synonyms
2135-16-29beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalateEINECS 218-369-3SCHEMBL11317456DTXSID70943910NS000486166-Fluoro-17-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoate6alpha-Fluoro-17-hydroxy-16alpha-methyl-3,20-dioxo-9beta,11beta-9,11-epoxypregna-1,4-dien-21-yl 2,2-dimethylpropanoatePivalic acid 9β,11β-epoxy-6α-fluoro-17-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yl esterPregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-9,11-epoxy-6-fluoro-17-hydroxy-16-methyl-, (6α,9β,11β,16α)- (9CI)
Database identifiers
- CAS
2135-16-2- PubChem CID
- 102209
- DTXSID
DTXSID70943910- EC Number
- 218-369-3
- Nikkaji
- J298.722H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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