Chem
J-GLOBAL ID：200907047017028185   Nikkaji number：J841.265K

(E)-3-(2-Oxoethyl)-4-formyl-4-hexenoic acid 3,4-dihydroxyphenethyl ester

(E)-3-(2-オキソエチル)-4-ホルミル-4-ヘキセン酸3,4-ジヒドロキシフェネチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H20O6
Molecular formula furigana： C17-H20-O6
Molecular weight： 320.341
InChI： InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-
InChI key： XLPXUPOZUYGVPD-SILLCRNTSA-N
SMILES： C/C=C(/C=O)\C(CC=O)CC(=O)OCCc1ccc(O)c(O)c1
Systematic name  (4)：
  • (4E)-3-(2-オキソエチル)-4-ホルミル-4-ヘキセン酸2-(3,4-ジヒドロキシフェニル)エチル
  • (E)-3-(2-オキソエチル)-4-ホルミル-4-ヘキセン酸3,4-ジヒドロキシフェネチル
  • 2-(3,4-ジヒドロキシフェニル)エチル (4E)-4-ホルミル-3-(2-オキソエチル)ヘキサ-4-エノアート
  • 2-(3,4-dihydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate
Other name (2)：
  • (4E)-3-(2-Oxoethyl)-4-formyl-4-hexenoic acid 2-(3,4-dihydroxyphenyl)ethyl ester
  • (E)-3-(2-Oxoethyl)-4-formyl-4-hexenoic acid 3,4-dihydroxyphenethyl ester
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