Basic information
- CAS
3801-25-0- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1O- InChIKey
KRJYQZVCFICBNU-NBLXTBOZSA-N- Molecular formula
- C20H27FO3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.19442288
Overview
9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
- IUPAC
- (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Names & synonyms
3801-25-09-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-oneNSC 53898NSC 53899(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one9-Fluoro-11,17-dihydroxy-16-methylandrosta-1,4-dien-3-oneNSC5389845974-07-0CHEBI:79611DTXSID10963470NSC-53898Q27148734
Database identifiers
- CAS
3801-25-0、45974-07-0- PubChem CID
- 243752
- DTXSID
DTXSID10963470- ChEBI
CHEBI:79611- Nikkaji
- J2.792.562F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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