(Q105006243)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

744.22654982 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₀O₁₇

0 references

canonical SMILES

O=C1OCC=2C(OC3OCC(OC)C(OC)C3OC4OC(COC(=O)C)C(O)C(O)C4O)=C5C=C(OC)C(OC)=CC5=C(C=6C=CC=7OCOC7C6)C12

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isomeric SMILES

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

0 references

found in taxon

Phyllanthus taxodiifolius

1 reference

stated in

Cytotoxic arylnaphthalide lignan glycosides from the aerial parts of Phyllanthus taxodiifolius

Identifiers

InChI

InChI=1S/C36H40O17/c1-15(37)46-12-24-28(38)29(39)30(40)35(51-24)53-33-32(45-5)25(44-4)13-48-36(33)52-31-18-10-22(43-3)21(42-2)9-17(18)26(27-19(31)11-47-34(27)41)16-6-7-20-23(8-16)50-14-49-20/h6-10,24-25,28-30,32-33,35-36,38-40H,11-14H2,1-5H3/t24-,25-,28-,29+,30-,32+,33-,35+,36+/m1/s1

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InChIKey

GCEGHLRRCGSNLJ-FWPYAJAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCEGHLRRCGSNLJ-FWPYAJAMSA-N

(Q105006243)

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

Statements

Identifiers

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