Molecule ID: 235672

IUPAC Name: (8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Description: The molecule is a 3-oxo steroid that is estr-5(10)-ene substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is a 3-oxo steroid and a 17beta-hydroxy steroid. It derives from a hydride of an estrane.

SMILES: C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(=O)CC4

SELFIES: [C][C@][C][C][C@@H1][C][=C][Branch1][#C][C][C][C@H1][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][C][C@@H1][Ring1][=N][O][C][C][=Branch1][C][=O][C][C][Ring1][#C]

InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14-,15-,16+,17+,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.2