Molecule ID: 11289118

IUPAC Name: (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Description: The molecule is an abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a tricyclic diterpenoid and an abietane diterpenoid.

SMILES: CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C

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

InChI: InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 6.0