Basic information
- CAS
339-02-6- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C- InChIKey
JSGVCWDJNUVILL-VTZQMFNYSA-N- Molecular formula
- C21H29FO3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.21007294
Overview
9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- (8S,9R,10S,11S,13R,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimeth yl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-o ne
- Molecular formula
- C21H29FO3
- Molecular weight
- 348.46
Names & synonyms
9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione339-02-6(8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-oneMLS000737822MLS00263846311beta-Hydroxy-9alpha-fluoroprogesterone9-Fluoro-11beta-hydroxypregn-4-ene-3,20-dioneCHEMBL3250363NIOSH/TU5024100SCHEMBL11660982CHEBI:79814DTXSID20955487
Show more names
Pregn-4-ene-3,20-dione, 9-fluoro-11-hydroxy-, (11β)-(8S,9R,10S,11S,13R,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimeth yl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-o ne
NSC16008NSC17128NSC-16008NSC-171289-alpha-Fluoro-11-beta-hydroxyprogesteroneDB-200389TU502410009-Fluoro-11-hydroxypregn-4-ene-3,20-dione
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Melting point
- 210 · 210-217 °C
- Boiling point
- 486.2 · 486.2±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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