Molecule ID: 134814701

IUPAC Name: 2-[(2S,4aR,4bS,8aS,10aR)-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl]oxirane

Description: The molecule is a tricyclic diterpenoid that is dolabradiene in which vinyl substituent has undergone oxidation to give the corresponding epoxide. It is an epoxide, an olefinic compound and a tricyclic diterpenoid. It derives from a dolabradiene.

SMILES: C=C1CCC[C@H]2[C@]3(C)CC[C@](C)(C4CO4)C[C@H]3CC[C@]12C

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

InChI: InChI=1S/C20H32O/c1-14-6-5-7-16-19(14,3)9-8-15-12-18(2,17-13-21-17)10-11-20(15,16)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17?,18+,19-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 5.8