Molecule ID: 56927994

IUPAC Name: (1S,4R,4aR,4bR,8aR,10aR)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-4-ol

Description: The molecule is a diterpenoid that is the 11alpha-hydroxy-derivative of ent-cassa-12,15-diene. It is a diterpenoid and a secondary alcohol. It derives from a hydride of an ent-cassa-12,15-diene.

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

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

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

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.8