Chem
J-GLOBAL ID：200907007366234769   Nikkaji number：J1.865.906I

2,4,5-Tricaffeoyl-D-altraric acid

2,4,5-トリカフェオイル-D-アルトラル酸
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： C33H28O17
Molecular formula furigana： C33-H28-O17
Molecular weight： 696.570
InChI： InChI=1S/C33H28O17/c34-19-7-1-16(13-22(19)37)4-10-25(40)48-29(31(33(46)47)50-27(42)12-6-18-3-9-21(36)24(39)15-18)28(43)30(32(44)45)49-26(41)11-5-17-2-8-20(35)23(38)14-17/h1-15,28-31,34-39,43H,(H,44,45)(H,46,47)/t28-,29+,30+,31+/m1/s1
InChI key： SLEBIJYTAGSEKM-BHSUFKTOSA-N
SMILES： O[C@H]([C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • (2S,3R,4S,5S)-2,4,5-トリス[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]-3-ヒドロキシヘキサン二酸
  • (2S,3S,4R,5S)-2,3,5-トリス({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})-4-ヒドロキシヘキサン二酸
  • (2S,3S,4R,5S)-2,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxyhexanedioic acid
Other name (3)：
  • (2S,3R,4S,5S)-2,4,5-Tris[3-(3,4-dihydroxyphenyl)propenoyloxy]-3-hydroxyhexanedioic acid
  • 2,4,5-トリカフェオイル-D-アルトラル酸
  • 2,4,5-Tricaffeoyl-D-altraric acid
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