(5S,5aR,8aR,9R)-5-[(S)-cyclohex-3-en-1-yl(oxidanyl)methyl]-5-oxidanyl-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-[(S)-cyclohex-3-en-1-yl(oxidanyl)methyl]-5-oxidanyl-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-[(S)-cyclohex-3-en-1-yl(hydroxy)methyl]-5-hydroxy-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-[(S)-1-cyclohex-3-enyl(hydroxy)methyl]-5-hydroxy-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-[(S)-cyclohex-3-en-1-yl(hydroxy)methyl]-5-hydroxy-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-[(S)-cyclohex-3-en-1-yl(hydroxy)methyl]-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxol-8-one Formula: C29H32O9 MolecularWeight: 524.55898

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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)(C(C6CCC=CC6)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)([C@H](C6CCC=CC6)O)O

InChI

InChI=1S/C29H32O9/c1-33-22-9-16(10-23(34-2)26(22)35-3)24-17-11-20-21(38-14-37-20)12-18(17)29(32,19-13-36-28(31)25(19)24)27(30)15-7-5-4-6-8-15/h4-5,9-12,15,19,24-25,27,30,32H,6-8,13-14H2,1-3H3/t15?,19-,24+,25-,27-,29+/m0/s1