(Q105217953)

English

methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-5,7-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavagline

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mass

506.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₆O₉

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canonical SMILES

O=C(OC)C1C(O)C2(O)C=3C=C(OC)C=C(OC)C3OC2(C4=CC=C5OCOC5=C4)C1C=6C=CC=CC6

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isomeric SMILES

COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc4c(c3)OCO4)Oc3c(OC)cc(OC)cc3[C@]2(O)[C@@H]1O

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found in taxon

Aglaia erythrosperma

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stated in

Biologically active constituents of Aglaia erythrosperma

Identifiers

InChI

InChI=1S/C28H26O9/c1-32-17-12-18-24(21(13-17)33-2)37-28(16-9-10-19-20(11-16)36-14-35-19)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(18,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3/t22-,23-,25-,27+,28+/m1/s1

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InChIKey

QBQNINHGQXIBPB-GWNOIRNCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QBQNINHGQXIBPB-GWNOIRNCSA-N

(Q105217953)

methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-5,7-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

Statements

Identifiers

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