Chem
J-GLOBAL ID：200907070493172806   Nikkaji number：J1.290.182H

3-O-Caffeoyl-4-O-feruloyl quinic acid

3-O-カフェオイル-4-O-フェルロイルキナ酸
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： C26H26O12
Molecular formula furigana： C26-H26-O12
Molecular weight： 530.482
InChI： InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/t19-,21-,24+,26-/m0/s1
InChI key： RKAYMOSEFYVEJU-OBKKCPSISA-N
SMILES： COc1cc(C=CC(=O)O[C@@H]2[C@@H](O)C[C@](O)(C[C@@H]2OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O)ccc1O
Systematic name  (3)：
  • (1S)-1,5β-ジヒドロキシ-3α-[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]-4α-[3-(3-メトキシ-4-ヒドロキシフェニル)プロペノイルオキシ]-1β-シクロヘキサンカルボン酸
  • (1S,3S,4R,5S)-3-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-1,5-ジヒドロキシ-4-{[3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}シクロヘキサン-1-カルボン酸
  • (1S,3S,4R,5S)-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Other name (3)：
  • (1S)-1,5β-Dihydroxy-3α-[3-(3,4-dihydroxyphenyl)propenoyloxy]-4α-[3-(3-methoxy-4-hydroxyphenyl)propenoyloxy]-1β-cyclohexanecarboxylic acid
  • 3-O-Caffeoyl-4-O-feruloyl quinic acid
  • 3-O-カフェオイル-4-O-フェルロイルキナ酸
Thsaurus map：
Thesaurus Map

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