(Q105139971)

English

(2E)-3-(4-{[(2E,5E)-3,7-dimethylocta-2,5,7-trien-1-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol

chemical compound

In more languages

Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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344.198759376 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₄

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canonical SMILES

OCC=CC1=CC(OC)=C(OCC=C(C)CC=CC(=C)C)C(OC)=C1

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isomeric SMILES

C=C(C)/C=C/C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC

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based on heuristic

inferred from InChI

Ligularia duciformis

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Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Identifiers

InChI=1S/C21H28O4/c1-16(2)8-6-9-17(3)11-13-25-21-19(23-4)14-18(10-7-12-22)15-20(21)24-5/h6-8,10-11,14-15,22H,1,9,12-13H2,2-5H3/b8-6+,10-7+,17-11+

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KEIALQFUUYIXCJ-FCLXJLBMSA-N

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