[(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-4-yl] butanoate

Systemtic Name: [(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-4-yl] butanoate Openeye Name: [(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-4-yl] butanoate CAS Name: butanoic acid [(5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-4-yl] ester IUPAC Name: [(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-4-yl] butanoate Traditional Name: butyric acid [(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-4-yl] ester Formula: C25H26O9 MolecularWeight: 470.46854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C2CC3COC(=O)C3C(C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)O)OC

Isomeric SMILES

CCCC(=O)OC1=C2C[C@H]3COC(=O)[C@@H]3[C@@H](C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)O)OC

InChI

InChI=1S/C25H26O9/c1-4-5-19(26)34-23-15-6-13-10-31-25(28)21(13)20(14(15)9-18-24(23)33-11-32-18)12-7-16(29-2)22(27)17(8-12)30-3/h7-9,13,20-21,27H,4-6,10-11H2,1-3H3/t13-,20+,21-/m0/s1