Molecule ID: 12309316

IUPAC Name: (2S,4aR,4bS,8aS,10aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

Description: The molecule is a carbotricyclic compound and diterpene that is tetradecahydrophenanthrene which is substituted by a methylene group at position 1, methyl groups at positions 4b, 7, and 10a, and a vinyl group at position 7 (the 4aS,4bR,7S,8aR,10aS stereoisomer). It has a role as a plant metabolite. It is a carbotricyclic compound, a diterpene and an olefinic compound.

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

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

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

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 7.3