Molecule ID: 50900598

IUPAC Name: (4aS,10aR)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,4a,10,10a-hexahydrophenanthren-9-one

Description: The molecule is a tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is a cyclic terpene ketone, a member of phenols and a tricyclic diterpenoid.

SMILES: CC(C)c1cc2c(cc1O)[C@H]1CCCC(C)(C)[C@@H]1CC2=O

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

InChI: InChI=1S/C19H26O2/c1-11(2)13-8-15-14(9-17(13)20)12-6-5-7-19(3,4)16(12)10-18(15)21/h8-9,11-12,16,20H,5-7,10H2,1-4H3/t12-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.1