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Basic information
- CAS
2135-14-0- Standard SMILES
CC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C- InChIKey
BSHYASCHOGHGHW-UHFFFAOYSA-N- Molecular formula
- C24H31FO5
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.21555225
Names & identifiers
- Preferred name
- 9-Fluoro-11beta-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
- IUPAC
- 8-acetyl-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Names & synonyms
MLS0026086689-Fluoro-11beta-hydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione21-DeoxytriamcinoloneSCHEMBL618980CHEMBL1727437HMS3080B21Progesterone,17-(isopropylidenedioxy)SMR001527413MLS002608668-02Pregna-1,20-dione, 9-fluoro-11.beta.-hydroxy-16.alpha.,17-(isopropylidenedioxy)-9-Fluoro-11.beta.,17-trihydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetonePregna-1,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11.beta.,16.alpha.)-
Show more names
Pregna-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17-trihydroxy-, cyclic 16,17-acetal with acetonePregna-1,20-dione, 9.alpha.-fluoro-16.alpha.,17.alpha.-isopropylidenedioxy-11.beta.-hydroxy-
Database identifiers
- CAS
2135-14-0- PubChem CID
- 239596
- ChEMBL
CHEMBL1727437
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
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Compound notes
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