Molecule ID: 50900596

IUPAC Name: (1R,10S,11S,14R)-14-ethoxy-4-hydroxy-11-methyl-5-propan-2-yl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadeca-2,4,6-trien-8-one

Description: The molecule is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is an abietane diterpenoid, a cyclic ether, a tetracyclic diterpenoid and a cyclic terpene ketone.

SMILES: CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1C(=O)C[C@@H]23

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

InChI: InChI=1S/C22H30O4/c1-5-25-20-22-8-6-7-21(4,12-26-20)19(22)11-18(24)15-9-14(13(2)3)17(23)10-16(15)22/h9-10,13,19-20,23H,5-8,11-12H2,1-4H3/t19-,20+,21+,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 4.2