Molecule ID: 102335044

IUPAC Name: (3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-enyl)-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene

Description: The molecule is a diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group. It has a role as a bacterial metabolite. It is a diterpenoid, a member of octahydronaphthalenes and an ether. It derives from a (+)-kolavelool.

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

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

InChI: InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 6.2