Molecule ID: 50900673

IUPAC Name: (9R,10aS)-9-ethoxy-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,9,10,10a-tetrahydrophenanthren-3-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, a tricyclic diterpenoid and an ether.

SMILES: CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(C(C)C)cc21

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

InChI: InChI=1S/C21H28O3/c1-6-24-20-10-18-16(7-13(22)11-21(18,4)5)15-9-19(23)14(12(2)3)8-17(15)20/h7-9,12,18,20,23H,6,10-11H2,1-5H3/t18-,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.7