Molecule ID: 70698053

IUPAC Name: (3R,3aS,4R,6S,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol

Description: The molecule is a lignan that is pinoresinol substituted by a hydroxy group at position 4. It has been isolated from the roots of Scorzonera judaica. It has a role as a plant metabolite. It is a furofuran, a lignan and a member of guaiacols. It derives from a pinoresinol.

SMILES: COc1cc([C@H]2O[C@@H](O)[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O

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

InChI: InChI=1S/C20H22O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-23H,9H2,1-2H3/t12-,17+,18-,19+,20-/m1/s1

Molecular Properties:
- Polar Surface Area: 97.6 Ų
- LogP: 1.8