Molecule ID: 52937074

IUPAC Name: (1R,6S)-5,5-dimethyl-10-propan-2-yl-14-oxatetracyclo[7.6.1.01,6.013,16]hexadeca-9,11,13(16)-triene

Description: The molecule is an abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14 at an epoxy group across positions 11 and 17. It is isolated from Podocarpus latifolius. It has a role as a metabolite. It is an abietane diterpenoid, a cyclic ether and an organic heterotetracyclic compound.

SMILES: CC(C)c1ccc2c3c1CC[C@H]1C(C)(C)CCC[C@]31CO2

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

InChI: InChI=1S/C20H28O/c1-13(2)14-6-8-16-18-15(14)7-9-17-19(3,4)10-5-11-20(17,18)12-21-16/h6,8,13,17H,5,7,9-12H2,1-4H3/t17-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 6.1