Molecule ID: 129626616

IUPAC Name: (8S,9S,10S,13S,14S)-3-hydroperoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Description: The molecule is an androstanoid that is androstane carrying a hyroperoxy substituent at position 3. It is a peroxol and an androstanoid.

SMILES: C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(OO)CC[C@]3(C)[C@H]1CC2

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

InChI: InChI=1S/C19H32O2/c1-18-9-3-4-16(18)15-6-5-13-12-14(21-20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13?,14?,15-,16-,17-,18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 5.9