(Q105030067)

English

(8aR)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

group of stereoisomers with the chemical formula C₂₂H₂₂O₈

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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

414.1314676639999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₂O₈

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canonical SMILES

O=C1OCC2CC3=C(O)C=4OCOC4C=C3C(C5=CC(OC)=C(OC)C(OC)=C5)C12

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isomeric SMILES

COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC

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found in taxon

Linum hologynum

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stated in

Aryltetralin Lignans from Linum cariense

Linum flavum

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stated in

Aryltetralin lignans from Linum flavum and Linum capitatum

Podophyllum peltatum

1 reference

stated in

Aryltetralin lignans from Linum flavum and Linum capitatum

Identifiers

InChI

InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11?,17?,18-/m0/s1

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InChIKey

HLBPOYVRLSXWJJ-WICREQFHSA-N

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2 references

4 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

HLBPOYVRLSXWJJ-WICREQFHSA-N

1 reference

(Q105030067)

(8aR)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Statements

Identifiers

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