Basic information
- CAS
1649-30-5- Standard SMILES
C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1[C@@H](O)[C@@H]2F- InChIKey
JKRMUSMTFMBPFM-HPLVRFQDSA-N- Molecular formula
- C19H27FO3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.19442288
Overview
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
- IUPAC
- (8S,9S,10R,11R,12R,13S,14S,17S)-12-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
1649-30-5XSW6U77DX9NSC-5389512alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-oneUNII-XSW6U77DX9Androst-4-en-3-one, 12-fluoro-11beta,17beta-dihydroxy-Androst-4-en-3-one, 12alpha-fluoro-11beta,17beta-dihydroxy-CHEBI:79682DTXSID60288044NSC53895(8S,9S,10R,11R,12R,13S,14S,17S)-12-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneQ27148810
Show more names
ANDROST-4-EN-3-ONE, 12-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-ANDROST-4-EN-3-ONE, 12.ALPHA.-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-
Database identifiers
- CAS
1649-30-5- PubChem CID
- 243750
- DTXSID
DTXSID60288044- ChEBI
CHEBI:79682- UNII
- XSW6U77DX9
- Nikkaji
- J2.793.221E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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