(Q105006659)

English

(2R,3S,3aR,5R)-2-[(3,4-dimethoxyphenyl)methoxy]-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(3,4-dimethoxyphenyl)methoxy]-5,7-dimethoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

418.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₇

0 references

canonical SMILES

O=C1C(OC)=C2OC(OCC3=CC=C(OC)C(OC)=C3)C(C)C2(CC=C)CC1OC

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isomeric SMILES

C=CC[C@]12C[C@@H](OC)C(=O)C(OC)=C1O[C@@H](OCc1ccc(OC)c(OC)c1)[C@H]2C

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found in taxon

Ocotea catharinensis

1 reference

stated in

Neolignans from Ocotea catharinensis

Identifiers

InChI

InChI=1S/C23H30O7/c1-7-10-23-12-18(27-5)19(24)20(28-6)21(23)30-22(14(23)2)29-13-15-8-9-16(25-3)17(11-15)26-4/h7-9,11,14,18,22H,1,10,12-13H2,2-6H3/t14-,18-,22-,23-/m1/s1

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InChIKey

GDCRMHZQKAQBBE-WHIJVDBASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GDCRMHZQKAQBBE-WHIJVDBASA-N

(Q105006659)

(2R,3S,3aR,5R)-2-[(3,4-dimethoxyphenyl)methoxy]-5,7-dimethoxy-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one

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