(3S,4S)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)carbonyl-oxolan-2-one

Systemtic Name: (3S,4S)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)carbonyl-oxolan-2-one Openeye Name: (3S,4S)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzoyl)tetrahydrofuran-2-one CAS Name: (3S,4S)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)-oxomethyl]-2-oxolanone IUPAC Name: (3S,4S)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzoyl)oxolan-2-one Traditional Name: (3S,4S)-3-piperonyl-4-veratroyl-tetrahydrofuran-2-one Formula: C21H20O7 MolecularWeight: 384.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2COC(=O)C2CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@@H]2COC(=O)[C@H]2CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H20O7/c1-24-16-6-4-13(9-18(16)25-2)20(22)15-10-26-21(23)14(15)7-12-3-5-17-19(8-12)28-11-27-17/h3-6,8-9,14-15H,7,10-11H2,1-2H3/t14-,15+/m0/s1