(Q104919907)

English

9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-3H-benzo[f][2]benzofuran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

512.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₄O₁₁

0 references

canonical SMILES

O=C1OCC=2C(OC3OCC(O)C(O)C3O)=C4C=C(OC)C(OC)=CC4=C(C=5C=CC=6OCOC6C5)C12

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isomeric SMILES

COc1cc2c(O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

0 references

found in taxon

Phyllanthus oligospermus

1 reference

stated in

Cytotoxic arylnaphthalene lignans from Phyllanthus oligospermus

Identifiers

InChI

InChI=1S/C26H24O11/c1-31-17-6-12-13(7-18(17)32-2)24(37-26-23(29)22(28)15(27)9-34-26)14-8-33-25(30)21(14)20(12)11-3-4-16-19(5-11)36-10-35-16/h3-7,15,22-23,26-29H,8-10H2,1-2H3/t15-,22-,23+,26-/m1/s1

0 references

InChIKey

AVYGDWFATMFGNJ-UVGWKVBGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVYGDWFATMFGNJ-UVGWKVBGSA-N

1 reference

(Q104919907)

9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one

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