Molecule ID: 13831793

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

Description: The molecule is a 2-hydroxy steroid that is 2-hydroxyestrone in which the hydroxy group at position 3 has been converted to the corresponding methyl ether. It is a 2-hydroxy steroid, a 17-oxo steroid and an aromatic ether. It derives from a 2-hydroxyestrone.

SMILES: COc1cc2c(cc1O)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2

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

InChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.1