Chem
J-GLOBAL ID：200907061922934559   Nikkaji number：J2.059.870K

1,4-O-Dicaffeoylquinic acid

1,4-O-ジカフェオイルキナ酸
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： C25H24O12
Molecular formula furigana： C25-H24-O12
Molecular weight： 516.455
InChI： InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/t19-,20-,23?,25-/m1/s1
InChI key： IYXQRCXQQWUFQV-IBXKDZKYSA-N
SMILES： O[C@@H]1C[C@@](C[C@@H](O)C1OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • 1β,4β-ビス[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]-3β,5α-ジヒドロキシシクロヘキサンカルボン酸
  • (3R,5R)-1,4-ビス({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})-3,5-ジヒドロキシシクロヘキサン-1-カルボン酸
  • (3R,5R)-1,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,5-dihydroxycyclohexane-1-carboxylic acid
Other name (10)：
  • 1β,4β-Bis[3-(3,4-dihydroxyphenyl)propenoyloxy]-3β,5α-dihydroxycyclohexanecarboxylic acid
  • 1,4-O-ジカフェオイルキナ酸
  • 1,4-O-Dicaffeoylquinic acid
  • Dicaffeoylquinic acid
  • ジカフェオイルキナ酸
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CAS registry number： 1182-34-9
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