Chem
J-GLOBAL ID：200907008644513085   Nikkaji number：J1.832.326E

Cimiracemate B

シミラセマートB
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/c1-25-18-10-12(2-6-16(18)22)4-7-19(24)26-11-14(20)8-13-3-5-15(21)17(23)9-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+
InChI key： AOAGZRJZUKYLHH-QPJJXVBHSA-N
SMILES： COc1cc(/C=C/C(=O)OCC(=O)Cc2ccc(O)c(O)c2)ccc1O
Systematic name  (3)：
  • (E)-3-(4-ヒドロキシ-3-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-(4-ヒドロキシ-3-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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (3)：
  • (E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-(3,4-dihydroxyphenyl)-2-oxopropyl ester
  • Cimiracemate B
  • シミラセマートB
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