Chem
J-GLOBAL ID：200907055171416425   Nikkaji number：J404.659E

Caffeoyl tartaric acid

カフェオイル酒石酸
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： C13H12O9
Molecular formula furigana： C13-H12-O9
Molecular weight： 312.230
InChI： InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/t10-,11-/m1/s1
InChI key： SWGKAHCIOQPKFW-GHMZBOCLSA-N
SMILES： O[C@H]([C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O)C(=O)O
Systematic name  (3)：
  • (2R,3R)-2-[[3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-3-ヒドロキシブタン二酸
  • (2R,3R)-2-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-3-ヒドロキシブタン二酸
  • (2R,3R)-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid
Other name (5)：
  • カフェオイル酒石酸
  • Caffeoyl tartaric acid
  • Monocaffeoyl tartrate
  • (2R,3R)-2-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxybutanedioic acid
  • p-カフェオイル酒石酸
CAS registry number： 1234-09-9
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