(5S,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(2-methylsulfanylethoxy)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-(2-methylsulfanylethoxy)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(2-methylsulfanylethoxy)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(methylthio)ethoxy]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-methylsulfanylethoxy)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[2-(methylthio)ethoxy]-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C24H26O8S MolecularWeight: 474.52344

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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)OCCSC

Isomeric SMILES

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

InChI

InChI=1S/C24H26O8S/c1-27-18-6-12(7-19(28-2)22(18)25)20-13-8-16-17(32-11-31-16)9-14(13)23(29-4-5-33-3)15-10-30-24(26)21(15)20/h6-9,15,20-21,23,25H,4-5,10-11H2,1-3H3/t15?,20-,21+,23-/m1/s1