Molecule ID: 12443127

IUPAC Name: (3S,4S,6R)-4,6-bis(4-hydroxyphenyl)oxan-3-ol

Description: The molecule is a norlignan that is an isomer of agatharesinol in which the dihydroxypentene side chain is cyclised. It derives from an agatharesinol.

SMILES: Oc1ccc([C@H]2C[C@@H](c3ccc(O)cc3)[C@H](O)CO2)cc1

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

InChI: InChI=1S/C17H18O4/c18-13-5-1-11(2-6-13)15-9-17(21-10-16(15)20)12-3-7-14(19)8-4-12/h1-8,15-20H,9-10H2/t15-,16+,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 69.9 Ų
- LogP: 2.2