(Q105259805)

English

(2R)-2beta-(1,3-Benzodioxol-5-yl)-2,3,3a,4-tetrahydro-5beta,7-dimethoxy-3beta-methyl-3aalpha-(2-propenyl)benzofuran-6(5H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a-Allyl-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3,3a,4,5-tetrahydro-1-benzofuran-6(2H)-one

1 reference

based on heuristic

inferred from SMILES

mass

372.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,3aR,5S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,3aS,5S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one

1 reference

1 reference

C₂₁H₂₄O₆

0 references

canonical SMILES

O=C1C(OC)=C2OC(C3=CC=C4OCOC4=C3)C(C)C2(CC=C)CC1OC

0 references

isomeric SMILES

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

0 references

found in taxon

Ocotea catharinensis

3 references

stated in

Neolignans from Ocotea catharinensis

stated in

Neolignans from Ocotea catharinensis

stated in

Neolignans from leaves of Ocotea catharinensis

Identifiers

InChI

InChI=1S/C21H24O6/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/h5-7,9,12,16,18H,1,8,10-11H2,2-4H3/t12-,16-,18-,21-/m1/s1

0 references

InChIKey

SSPDVRMNHFFRCE-BZVIESNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SSPDVRMNHFFRCE-BZVIESNCSA-N

1 reference

(Q105259805)

(2R)-2beta-(1,3-Benzodioxol-5-yl)-2,3,3a,4-tetrahydro-5beta,7-dimethoxy-3beta-methyl-3aalpha-(2-propenyl)benzofuran-6(5H)-one

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Identifiers

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