Molecule ID: 57404370

IUPAC Name: 2-[(1R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol

Description: The molecule is a tricyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in roots of Arabidopsis. It has a role as a plant metabolite. It is a diterpenoid, a tertiary alcohol and a carbobicyclic compound.

SMILES: C/C1=C\C[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC/C(C)=C/CC1

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

InChI: InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.9