Molecule ID: 50909244

IUPAC Name: [4-[6-(4-acetyloxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenyl] acetate

Description: The molecule is a lignin that is the diacetate ester of syringylresinol. It is a lignan, a dimethoxybenzene, an acetate ester and a syringaresinol.

SMILES: COc1cc(C2OCC3C(c4cc(OC)c(OC(C)=O)c(OC)c4)OCC23)cc(OC)c1OC(C)=O

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

InChI: InChI=1S/C26H30O10/c1-13(27)35-25-19(29-3)7-15(8-20(25)30-4)23-17-11-34-24(18(17)12-33-23)16-9-21(31-5)26(36-14(2)28)22(10-16)32-6/h7-10,17-18,23-24H,11-12H2,1-6H3

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 2.4