Molecule ID: 14191199

IUPAC Name: 13-ethenyl-6-hydroxy-5,5,9,13-tetramethyl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-10-ene-7,12-dione

Description: The molecule is an organic heterotetracyclic compound that is ent-pimara-9(11),15-diene which is substituted by oxo groups at position 2 and 12, by a beta-epoxide at the 8,14 position, and by an alpha-hydroxy group at position 3. It has a role as a plant metabolite. It is an enone, a secondary alpha-hydroxy ketone, an epoxide and an organic heterotetracyclic compound. It derives from a hydride of an ent-pimara-9(11),15-diene.

SMILES: C=CC1(C)C(=O)C=C2C3(C)CC(=O)C(O)C(C)(C)C3CCC23OC13

SELFIES: [C][=C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][Ring1][#C][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1]

InChI: InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 1.8