Basic information
- CAS
2990-52-5- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C4CC(F)C(=O)C4(C)CCC32)C1- InChIKey
JPKVLRFJWDCPRE-UHFFFAOYSA-N- Molecular formula
- C21H29FO3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.21007294
Names & identifiers
- Preferred name
- 16-Fluoro-17-oxoandrost-5-en-3-yl acetate
- IUPAC
- (16-fluoro-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
2990-52-516-fluoro-17-oxoandrost-5-en-3-yl acetateNSC67072DTXSID60952354NSC-67072
Database identifiers
- CAS
2990-52-5- PubChem CID
- 249102
- DTXSID
DTXSID60952354
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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