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Substance Name: Phenylethyl 3-methylcaffeate
RN: 71835-85-3
InChIKey: CZQNYPBIOHVQQN-CSKARUKUSA-N

Note

  • A caffeic acid ester present in propolis, a natural resin produced by honey bees.

Molecular Formula

  • C18-H18-O4

Molecular Weight

  • 298.336
 
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Names and Synonyms

Name of Substance

  • Phenylethyl 3-methylcaffeate

Synonyms

  • 2-Phenylethyl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • CCRIS 7791

Systematic Names

  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-phenylethyl ester
  • Phenyethyl 3-methylcaffeate

Registry Numbers

CAS Registry Number

  • 71835-85-3

System Generated Number

  • 0071835853

Structure Descriptors

InChI

1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+

InChIKey

CZQNYPBIOHVQQN-CSKARUKUSA-N

Smiles

C(\C=C\c1cc(c(cc1)O)OC)(OCCc1ccccc1)=O