(Q105017104)

English

[6-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl] acetate

group of stereoisomers with the chemical formula C₄₀H₄₆O₂₂

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instance of

group of stereoisomers

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subclass of

arylnaphthalene-type lignan

1 reference

inferred from

arylnaphthalene-type lignan

mass

878.2480731120006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₆O₂₂

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canonical SMILES

O=C1OCC=2C(OC3OC(COC4OCC(O)C(O)C4O)C(OC(=O)C)C(OC5OC(CO)C(O)C(O)C5O)C3O)=C6C=C(OC)C(OC)=CC6=C(C=7C=CC=8OCOC8C7)C12

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Identifiers

InChI

InChI=1S/C40H46O22/c1-14(42)58-35-25(12-55-38-31(47)28(44)19(43)11-54-38)60-40(33(49)36(35)62-39-32(48)30(46)29(45)24(9-41)59-39)61-34-17-8-22(52-3)21(51-2)7-16(17)26(27-18(34)10-53-37(27)50)15-4-5-20-23(6-15)57-13-56-20/h4-8,19,24-25,28-33,35-36,38-41,43-49H,9-13H2,1-3H3

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InChIKey

GSFVDWREPGMOIS-UHFFFAOYSA-N

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PubChem CID

162873427

1 reference

based on heuristic

inferred from InChIKey

(Q105017104)

[6-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl] acetate

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