Molecule ID: 9993419

IUPAC Name: (2S,4aR,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene

Description: The molecule is a carbotricyclic compound that is isopimarane with double bonds introduced at the 7-8 and 15-16 positions and in which the hydrogen at position 9 is beta instead of alpha. It is a diterpene and a carbotricyclic compound. It derives from a hydride of an isopimarane.

SMILES: C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1

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

InChI: InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19+,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 6.8