Molecule ID: 15560275

IUPAC Name: (1aS,4S,4aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

Description: The molecule is a tricyclic sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7. It has a role as a plant metabolite. It is a carbotricyclic compound, a sesquiterpene and a polycyclic olefin. It is an enantiomer of a (-)-alpha-gurjunene.

SMILES: CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@@H]2C1(C)C

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

InChI: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.1