Molecule ID: 50900511

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

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 and a tetracyclic diterpenoid.

SMILES: CO[C@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1CC[C@@H]23

SELFIES: [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][C][C@@H1][Ring2][Ring1][Ring1][Ring1][=C]

InChI: InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 38.7 Ų
- LogP: 4.9