Oleocanthal

CAS Registry Number®

289030-99-5
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CAS Name

Oleocanthal

Molecular Formula

C17H20O5

Molecular Mass

304.34

Cite this Page

Oleocanthal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=289030-99-5 (retrieved 2024-05-18) (CAS RN: 289030-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=VPOVFCBNUOUZGG-VAKDEWRISA-N

SMILES

[C@@H](/C(=C\C)/C=O)(CC(OCCC1=CC=C(O)C=C1)=O)CC=O

Canonical SMILES

O=CC(=CC)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1

Other Names for this Substance

  • 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(4-hydroxyphenyl)ethyl ester, (3S,4E)-
  • Oleocanthal
  • (-)-Oleocanthal
  • 2-(4-Hydroxyphenyl)ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate

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