Molecule ID: 161178

IUPAC Name: (8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene

Description: The molecule is a steroid comprising androstane having a C=C double bond at the 16(17)-position. It derives from a hydride of an androstane.

SMILES: C[C@@]12C=CC[C@H]1[C@@H]1CCC3CCCC[C@]3(C)[C@H]1CC2

SELFIES: [C][C@@][C][=C][C][C@H1][Ring1][Branch1][C@@H1][C][C][C][C][C][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Ring1][O][C][C][Ring2][Ring1][C]

InChI: InChI=1S/C19H30/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h5,11,14-17H,3-4,6-10,12-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 7.1