(Q105005432)

English

(2R)-2-(1,3-Benzodioxole-5-yl)-3beta-methyl-3aalpha-allyl-5,7-dimethoxy-3,3a-dihydrobenzofuran-6(2H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

370.141638424 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,3aS)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₆

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canonical SMILES

O=C1C(OC)=CC2(C(OC(C3=CC=C4OCOC4=C3)C2C)=C1OC)CC=C

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isomeric SMILES

C=CC[C@]12C=C(OC)C(=O)C(OC)=C1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C

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found in taxon

Ocotea aciphylla

1 reference

stated in

Further neolignans from Ocotea aciphylla

Ocotea catharinensis

1 reference

stated in

Neolignans from Ocotea catharinensis

Aiouea montana

1 reference

stated in

Derivado cinamoílico com atividade no reparo de DNA e outras substâncias de Cinnamomum australe (Lauraceae)

Identifiers

InChI

InChI=1S/C21H22O6/c1-5-8-21-10-16(23-3)17(22)19(24-4)20(21)27-18(12(21)2)13-6-7-14-15(9-13)26-11-25-14/h5-7,9-10,12,18H,1,8,11H2,2-4H3/t12-,18-,21-/m1/s1

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InChIKey

GAIYJSQKRRARSH-HXGDPMPDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GAIYJSQKRRARSH-HXGDPMPDSA-N

1 reference

(Q105005432)

(2R)-2-(1,3-Benzodioxole-5-yl)-3beta-methyl-3aalpha-allyl-5,7-dimethoxy-3,3a-dihydrobenzofuran-6(2H)-one

Statements

Identifiers

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