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

Systemtic Name: (5R,5aR,9S)-9-[2,3-bis(oxidanyl)propyl]-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one Openeye Name: (5R,5aR,9S)-9-(2,3-dihydroxypropyl)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one CAS Name: (5R,5aR,9S)-9-(2,3-dihydroxypropyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one IUPAC Name: (5R,5aR,9S)-9-(2,3-dihydroxypropyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one Traditional Name: (5R,5aR,9S)-9-glyceryl-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one Formula: C24H26O9 MolecularWeight: 458.45784

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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)CC(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26O9/c1-29-19-3-11(4-20(30-2)23(19)27)21-15-7-18-17(32-10-33-18)6-14(15)13(5-12(26)8-25)16-9-31-24(28)22(16)21/h3-4,6-7,12-13,16,21-22,25-27H,5,8-10H2,1-2H3/t12?,13-,16?,21-,22+/m1/s1