Molecule ID: 101297699

IUPAC Name: (1R,4R,9R,10R,12S)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane

Description: The molecule is a diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16. It has a role as a plant metabolite. It is a diterpene, a polycyclic hydrocarbon and an olefinic compound.

SMILES: C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3

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

InChI: InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1

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