Molecule ID: 11966109

IUPAC Name: (1S,4R,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane

Description: The molecule is a tetracyclic diterpene consisting of ent-kaurane, where the 6-methyl group is replaced by methylene. It derives from a hydride of an ent-kaurane.

SMILES: C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3

SELFIES: [C][=C][C][C@@][C][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Ring1][Branch2][Branch1][C][C][C@@H1][Ring1][=N][C][C][C@@H1][Ring2][Ring1][C][C][Ring1][P]

InChI: InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20-/m1/s1

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