Chem
J-GLOBAL ID：200907004596961148   Nikkaji number：J988.672I

Cimiracemate A

シミラセマートA
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： C19H18O7
Molecular formula furigana： C19-H18-O7
Molecular weight： 358.346
InChI： InChI=1S/C19H18O7/c1-25-18-6-3-12(9-17(18)23)4-7-19(24)26-11-14(20)8-13-2-5-15(21)16(22)10-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+
InChI key： BZBZUGSXRITWQR-QPJJXVBHSA-N
SMILES： COc1ccc(/C=C/C(=O)OCC(=O)Cc2ccc(O)c(O)c2)cc1O
Systematic name  (4)：
  • 3-ヒドロキシ-4-メトキシ-trans-けい皮酸2-オキソ-3-(3,4-ジヒドロキシフェニル)プロピル
  • (E)-3-(3-ヒドロキシ-4-メトキシフェニル)プロペン酸3-(3,4-ジヒドロキシフェニル)-2-オキソプロピル
  • 3-(3,4-ジヒドロキシフェニル)-2-オキソプロピル (2E)-3-(3-ヒドロキシ-4-メトキシフェニル)プロパ-2-エノアート
  • 3-(3,4-dihydroxyphenyl)-2-oxopropyl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Other name (4)：
  • 3-Hydroxy-4-methoxy-trans-cinnamic acid 2-oxo-3-(3,4-dihydroxyphenyl)propyl ester
  • (E)-3-(3-Hydroxy-4-methoxyphenyl)propenoic acid 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester
  • Cimiracemate A
  • シミラセマートA
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