4-[[(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]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(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]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(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]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(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]-4-oxobutanoic acid IUPAC Name: 4-[[(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]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(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]oxy]-4-keto-butyric acid Formula: C25H24O11 MolecularWeight: 500.45146

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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)CCC(=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)CCC(=O)O

InChI

InChI=1S/C25H24O11/c1-31-17-5-11(6-18(32-2)23(17)29)21-12-7-15-16(35-10-34-15)8-13(12)24(14-9-33-25(30)22(14)21)36-20(28)4-3-19(26)27/h5-8,14,21-22,24,29H,3-4,9-10H2,1-2H3,(H,26,27)/t14-,21+,22-,24+/m0/s1