3beta-Fluoro-5alpha-androstan-17beta-ol
Basic information
- CAS
438-19-7- Standard SMILES
C[C@]12CC[C@H](F)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
DKYZAPZHDVDDSJ-YSZCXEEOSA-N- Molecular formula
- C19H31FO
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.23589377
Overview
3beta-Fluoro-5alpha-androstan-17beta-ol is an androstanoid.
Names & identifiers
- Preferred name
- 3beta-Fluoro-5alpha-androstan-17beta-ol
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
3beta-Fluoro-5alpha-androstan-17beta-ol438-19-7UNII-N0K1CDK91RN0K1CDK91RNSC 61689NSC-616895.alpha.-Androstan-17.beta.-ol, 3.beta.-fluoro-3.beta.-Fluoro-5.alpha.-androstan-17.beta.-olAndrostan-17-ol, 3-fluoro-, (3.beta.,5.alpha.,17.beta.)-RefChem:956605ALPHA-ANDROSTAN-17BETA-OL, 3BETA-FLUORO-ANDROSTAN-17-OL, 3-FLUORO-, (3BETA,5ALPHA,17BETA)-
Show more names
SCHEMBL15153005CHEBI:79832DKYZAPZHDVDDSJ-YSZCXEEOSA-NNSC61689(3S,5S,8R,9S,10S,13S,14S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-olAndrostan-17-ol, (3.beta.,5.alpha.,17.beta.)-Q27148970
Database identifiers
- CAS
438-19-7- PubChem CID
- 247285
- ChEBI
CHEBI:79832- UNII
- N0K1CDK91R
- Nikkaji
- J2.793.874D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
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Related reactions
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Compound notes
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