(8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

HCID 9647

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Basic information

CAS: 357-09-5
Standard SMILES: C[C@]12CCC(=O)C=C1CC[C@H]1C3CCC(=O)[C@@]3(C)C[C@H](O)[C@@]12F
InChIKey: SHJZUHWENQCCJH-MQYSCIAUSA-N
Molecular formula: C19H25FO3
Average molar mass: 320.4 g/mol
Monoisotopic mass: 320.17877282

Names & identifiers

Preferred name: (8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC: (8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

9-fluoro-11-hydroxyandrost-4-ene-3,17-dione(8S,9R,10S,11S,13S)-9-fluoro-11-hydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dioneDTXSID30957098(14xi)-9-Fluoro-11beta-hydroxyandrost-4-ene-3,17-dione

Database identifiers

CAS: 357-09-5
PubChem CID: 9647
DTXSID: DTXSID30957098

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 23
Formal charge: 0
Complexity: 626

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