Molecule ID: 15560276

IUPAC Name: (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

Description: The molecule is a carbotricyclic compound and sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, 4 and 7 (the 1aR,4R,4aR,7bS- diastereoisomer). It has been isolated from several plant species such as Anaphalis nubigena and Jatropha ribifolia. It has a role as a volatile oil component, a plant metabolite and an antibacterial agent. It is a carbotricyclic compound and a sesquiterpene. 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-/m1/s1

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