Molecule ID: 53375327

IUPAC Name: (2S,4aR,4bR,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-2-ol

Description: The molecule is a pimarane diterpenoid in which the hydrogen at position 3beta has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a pimarane diterpenoid and a secondary alcohol. It derives from a hydride of a 9beta-pimara-7,15-diene.

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

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

InChI: InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6-7,15-17,21H,1,8-13H2,2-5H3/t15-,16+,17+,19-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3