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

Systemtic Name: (5S,5aR,8aR,9R)-5-oxidanyl-5-(1-oxidanylcyclohex-2-en-1-yl)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aR,8aR,9R)-5-hydroxy-5-(1-hydroxycyclohex-2-en-1-yl)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxol-8-one CAS Name: (5S,5aR,8aR,9R)-5-hydroxy-5-(1-hydroxy-1-cyclohex-2-enyl)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aR,8aR,9R)-5-hydroxy-5-(1-hydroxycyclohex-2-en-1-yl)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aR,8aR,9R)-5-hydroxy-5-(1-hydroxycyclohex-2-en-1-yl)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxol-8-one Formula: C28H30O9 MolecularWeight: 510.5324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)(C6(CCCC=C6)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@](C4=CC5=C(C=C24)OCO5)(C6(CCCC=C6)O)O

InChI

InChI=1S/C28H30O9/c1-32-21-9-15(10-22(33-2)25(21)34-3)23-16-11-19-20(37-14-36-19)12-17(16)28(31,18-13-35-26(29)24(18)23)27(30)7-5-4-6-8-27/h5,7,9-12,18,23-24,30-31H,4,6,8,13-14H2,1-3H3/t18-,23+,24-,27?,28+/m0/s1