(3aS,4R,9aR)-6,7-bis(oxidanyl)-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one

Systemtic Name: (3aS,4R,9aR)-6,7-bis(oxidanyl)-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one Openeye Name: (3aS,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one CAS Name: (3aS,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one IUPAC Name: (3aS,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one Traditional Name: (3aS,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benz[f]isobenzofuran-3-one Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC(=C(C=C24)O)O)COC3=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@@H](CC4=CC(=C(C=C24)O)O)COC3=O

InChI

InChI=1S/C21H22O7/c1-25-16-6-11(7-17(26-2)20(16)27-3)18-13-8-15(23)14(22)5-10(13)4-12-9-28-21(24)19(12)18/h5-8,12,18-19,22-23H,4,9H2,1-3H3/t12-,18+,19+/m0/s1