Molecule ID: 11954144

IUPAC Name: (2R,8R,9S,10R,13S,14S,17S)-2-fluoro-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Description: The molecule is an androstanoid that is androst-4-ene substituted by an alpha-fluoro group at position 2 and a beta-hydroxy group at position 17. It is a 3-oxo-Delta(4) steroid, a 17beta-hydroxy steroid, a fluorinated steroid and an androstanoid. It derives from a testosterone.

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O

SELFIES: [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][Ring2][C][C][C][=C][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C@@][Ring1][Branch2][Ring1][N][C][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C19H27FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h9,12-15,17,22H,3-8,10H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.8