Molecule ID: 56927940

IUPAC Name: (1S,4R,7R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-ol

Description: The molecule is an ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries a beta-configured hydroxy group at C-2.

SMILES: CC1=C[C@@]23CC[C@@H]4C(C)(C)C[C@@H](O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3

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

InChI: InChI=1S/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15-,16-,17+,19-,20-/m1/s1

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