(3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-9a-oxidanyl-3,3a,4,9-tetrahydrobenzo[f][2]benzofuran-1-one

Systemtic Name: (3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-9a-oxidanyl-3,3a,4,9-tetrahydrobenzo[f][2]benzofuran-1-one Openeye Name: (3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-9a-hydroxy-5,6,7-trimethoxy-3,3a,4,9-tetrahydrobenzo[f]isobenzofuran-1-one CAS Name: (3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-9a-hydroxy-5,6,7-trimethoxy-3,3a,4,9-tetrahydrobenzo[f]isobenzofuran-1-one IUPAC Name: (3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-9a-hydroxy-5,6,7-trimethoxy-3,3a,4,9-tetrahydrobenzo[f][2]benzofuran-1-one Traditional Name: (3aS,4S,9aS)-4-(1,3-benzodioxol-5-yl)-9a-hydroxy-5,6,7-trimethoxy-3,3a,4,9-tetrahydrobenz[f]isobenzofuran-1-one Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(C3COC(=O)C3(CC2=C1)O)C4=CC5=C(C=C4)OCO5)OC)OC

Isomeric SMILES

COC1=C(C(=C2[C@@H]([C@H]3COC(=O)[C@@]3(CC2=C1)O)C4=CC5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C22H22O8/c1-25-16-7-12-8-22(24)13(9-28-21(22)23)17(18(12)20(27-3)19(16)26-2)11-4-5-14-15(6-11)30-10-29-14/h4-7,13,17,24H,8-10H2,1-3H3/t13-,17-,22+/m1/s1