Molecule ID: 50908726

IUPAC Name: [(S)-[(3S,4R)-4-(1,3-benzodioxole-5-carbonyl)-2-oxooxolan-3-yl]-(1,3-benzodioxol-5-yl)methyl] acetate

Description: The molecule is a lignan isolated from the leaves of Piper sanguineispicum. It has a role as a plant metabolite. It is a lignan, a gamma-lactone and a member of benzodioxoles.

SMILES: CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@H]1C(=O)OC[C@@H]1C(=O)c1ccc2c(c1)OCO2

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

InChI: InChI=1S/C22H18O9/c1-11(23)31-21(13-3-5-16-18(7-13)30-10-28-16)19-14(8-26-22(19)25)20(24)12-2-4-15-17(6-12)29-9-27-15/h2-7,14,19,21H,8-10H2,1H3/t14-,19-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.3