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Substance Name: 3,4-Dimethoxydalbergione
RN: 3755-64-4
InChIKey: LJEJBLOFFDLRIH-GFCCVEGCSA-N

Note

  • Substance from Brazilian rosewood substitute which causes dermatitis.

Molecular Formula

  • C17-H16-O4

Molecular Weight

  • 284.309
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethoxydalbergione

Synonym

  • 2,3-Dimethoxy-5-((1R)-1-phenyl-2-propenyl)-2,5-cyclohexadiene-1,4-dione

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-, (R)-

Registry Numbers

CAS Registry Number

  • 3755-64-4

System Generated Number

  • 0003755644

Structure Descriptors

InChI

1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3/t12-/m1/s1

InChIKey

LJEJBLOFFDLRIH-GFCCVEGCSA-N

Smiles

C1(=C(OC)C(C=C(C1=O)[C@H](C=C)c1ccccc1)=O)OC