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Substance Name: Oleocanthal
RN: 289030-99-5
UNII: AC7QO6038O
InChIKey: VPOVFCBNUOUZGG-VAKDEWRISA-N

Molecular Formula

  • C17-H20-O5

Molecular Weight

  • 304.34
 
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Names and Synonyms

Name of Substance

  • Oleocanthal

Synonyms

  • (-)-Oleocanthal
  • (3S,4E)-4-Formyl-3-(2-oxoethyl)-4-hexenoic acid 2-(4-hydroxyphenyl)ethyl ester
  • 2-(4-Hydroxyphenyl)ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate
  • 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(4-hydroxyphenyl)ethyl ester, (3S,4E)-
  • Deacetoxy ligstroside aglycon
  • Oleocanthal
  • UNII-AC7QO6038O

Registry Numbers

CAS Registry Number

  • 289030-99-5

FDA UNII

  • AC7QO6038O

System Generated Number

  • 0289030995

Structure Descriptors

InChI

InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1

InChIKey

VPOVFCBNUOUZGG-VAKDEWRISA-N

Smiles

C\C=C(\C=O)/[C@@H](CC=O)CC(=O)OCCc1ccc(O)cc1