Molecule ID: 131708294

IUPAC Name: (3R,3aR,8aS)-6,8a-dimethyl-3-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,3a,4,5,8-hexahydro-1H-azulene

Description: The molecule is a bicyclic diterpene that is 1,2,3,3a,4,5,8,8a-octahydroazulene carrying two methyl substituents at positions 6 and 8a as well as a 6-methylhepta-2,5-dien-2-yl at position 3. The relative stereochemistry has been assigned tentatively. It has a role as a plant metabolite. It is a diterpene, a carbobicyclic compound and a polycyclic olefin.

SMILES: CC(C)=CC/C=C(/C)[C@@H]1CC[C@@]2(C)CC=C(C)CC[C@H]12

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

InChI: InChI=1S/C20H32/c1-15(2)7-6-8-17(4)18-12-14-20(5)13-11-16(3)9-10-19(18)20/h7-8,11,18-19H,6,9-10,12-14H2,1-5H3/b17-8-/t18-,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 6.9