(Q105166214)

English

methyl (1S,2S,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

508.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,2R,3S,3aR,8bR)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3'-Hydroxyrocagloic acid methylester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₈O₉

0 references

canonical SMILES

O=C(OC)C1C(O)C2(O)C=3C(OC)=CC(OC)=CC3OC2(C4=CC=C(OC)C(O)=C4)C1C=5C=CC=CC5

0 references

isomeric SMILES

COC(=O)[C@@H]1[C@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@@]2(c2ccc(OC)c(O)c2)[C@@H]1c1ccccc1

0 references

found in taxon

Aglaia odorata

1 reference

stated in

New Insecticidal Rocaglamide Derivatives from the Roots ofAglaiaduperreana

Identifiers

InChI

InChI=1S/C28H28O9/c1-33-17-13-20(35-3)24-21(14-17)37-28(16-10-11-19(34-2)18(29)12-16)23(15-8-6-5-7-9-15)22(26(31)36-4)25(30)27(24,28)32/h5-14,22-23,25,29-30,32H,1-4H3/t22-,23+,25-,27-,28-/m0/s1

0 references

InChIKey

MKTMWKCGQTXSNC-CGACGQNGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MKTMWKCGQTXSNC-CGACGQNGSA-N

(Q105166214)

methyl (1S,2S,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

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Identifiers

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