2-[[(5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]oxycarbonyl]benzoic acid

Systemtic Name: 2-[[(5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]oxycarbonyl]benzoic acid Openeye Name: 2-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]oxycarbonyl]benzoic acid CAS Name: 2-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]oxycarbonyl]benzoic acid Traditional Name: 2-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]oxycarbonyl]benzoic acid Formula: C29H24O11 MolecularWeight: 548.49426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C29H24O11/c1-35-21-7-13(8-22(36-2)25(21)30)23-16-9-19-20(39-12-38-19)10-17(16)26(18-11-37-29(34)24(18)23)40-28(33)15-6-4-3-5-14(15)27(31)32/h3-10,18,23-24,26,30H,11-12H2,1-2H3,(H,31,32)/t18-,23+,24-,26+/m0/s1