(Q105312664)

English

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

group of stereoisomers with the chemical formula C₃₆H₄₀O₁₉

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Statements

instance of

group of stereoisomers

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subclass of

arylnaphthalene-type lignan

1 reference

inferred from

arylnaphthalene-type lignan

mass

776.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₀O₁₉

0 references

canonical SMILES

O=C1OCC=2C(OC3OCC(O)(COC4OCC(O)C(O)C4O)C3OC5OCC(O)C(O)C5O)=C6C=C(OC)C(OC)=CC6=C(C=7C=CC=8OCOC8C7)C12

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Identifiers

InChI

InChI=1S/C36H40O19/c1-45-21-6-15-16(7-22(21)46-2)30(17-8-47-32(43)25(17)24(15)14-3-4-20-23(5-14)53-13-52-20)54-35-31(55-34-29(42)27(40)19(38)10-49-34)36(44,12-51-35)11-50-33-28(41)26(39)18(37)9-48-33/h3-7,18-19,26-29,31,33-35,37-42,44H,8-13H2,1-2H3

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InChIKey

WTNBRCRYRLAZFO-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTNBRCRYRLAZFO-UHFFFAOYSA-N

(Q105312664)

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

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Identifiers

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