Molecule ID: 131801249

IUPAC Name: (3S,4aS,4bR,8S,8aR,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthren-3-ol

Description: The molecule is a diterpenoid that is ent-cassa-12,15-diene in which the hydrogen at position 2beta has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a diterpenoid and a secondary alcohol. It derives from a hydride of an ent-cassa-12,15-diene.

SMILES: C=CC1=CC[C@@H]2[C@H](CC[C@@H]3C(C)(C)C[C@H](O)C[C@@]23C)[C@@H]1C

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

InChI: InChI=1S/C20H32O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15+,16-,17-,18-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.4