Molecule ID: 5280437

IUPAC Name: (2E,6E,10E)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene

Description: The molecule is a diterpene comprising bicyclo[12.1.0]pentadeca-2,6,10-triene having three methyl substituents located at the 3-, 7- and 11-positions as well as gem-dimethyl groups at the 15-position. It has a role as an antifungal agent. It derives from a hydride of a casbane.

SMILES: C/C1=C\CC/C(C)=C/C2C(CC/C(C)=C/CC1)C2(C)C

SELFIES: [C][/C][=C][\C][C][/C][Branch1][C][C][=C][/C][C][Branch1][N][C][C][/C][Branch1][C][C][=C][/C][C][Ring1][S][C][Ring1][#Branch2][Branch1][C][C][C]

InChI: InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.4