(5R,5aR,8aS)-5a-oxidanyl-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Systemtic Name: (5R,5aR,8aS)-5a-oxidanyl-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one Openeye Name: (5R,5aR,8aS)-5a-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-6-one CAS Name: (5R,5aR,8aS)-5a-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-6-one IUPAC Name: (5R,5aR,8aS)-5a-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one Traditional Name: (5R,5aR,8aS)-5a-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-6-one Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5C2(C(=O)OC5)O)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=CC4=C(C=C3C[C@@H]5[C@]2(C(=O)OC5)O)OCO4

InChI

InChI=1S/C22H22O8/c1-25-17-6-12(7-18(26-2)20(17)27-3)19-14-8-16-15(29-10-30-16)5-11(14)4-13-9-28-21(23)22(13,19)24/h5-8,13,19,24H,4,9-10H2,1-3H3/t13-,19+,22-/m0/s1