Molecule ID: 134716632

IUPAC Name: (2S,4aS,4bR,7S,8aR,10aS)-7-methyl-1-methylidene-7-(oxiran-2-yl)-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol

Description: The molecule is a tricyclic diterpenoid that is 15,16-epoxydolabrene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is a secondary allylic alcohol, an epoxide and a tricyclic diterpenoid. It derives from a 15,16-epoxydolabrene.

SMILES: C=C1[C@H]2CC[C@@H]3C[C@@](C)(C4CO4)CC[C@H]3[C@@H]2CC[C@@H]1O

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

InChI: InChI=1S/C18H28O2/c1-11-13-4-3-12-9-18(2,17-10-20-17)8-7-14(12)15(13)5-6-16(11)19/h12-17,19H,1,3-10H2,2H3/t12-,13-,14-,15-,16+,17?,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 32.8 Ų
- LogP: 3.4