(Q104965127)

English

(2S,3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-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)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

356.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₅

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canonical SMILES

O=C1C=C2OC(C3=CC=C(OC)C(OC)=C3)C(C)C2(C=C1OC)CC=C

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isomeric SMILES

C=CC[C@@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C

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found in taxon

Nectandra

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stated in

Neolignans from a Nectandra species

Identifiers

InChI

InChI=1S/C21H24O5/c1-6-9-21-12-18(25-5)15(22)11-19(21)26-20(13(21)2)14-7-8-16(23-3)17(10-14)24-4/h6-8,10-13,20H,1,9H2,2-5H3/t13-,20+,21+/m1/s1

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InChIKey

CMTIOXAVRNUFAG-UBWHGVKJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CMTIOXAVRNUFAG-UBWHGVKJSA-N

1 reference

(Q104965127)

(2S,3S,3aR)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

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