Chem
J-GLOBAL ID：200907089561124095   Nikkaji number：J1.515.673B

3-O-Galloyl-D-galacto-hexaric acid 1,4-lactone

3-O-ガロイル-D-galacto-ヘキサル酸1,4-ラクトン
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： C13H12O11
Molecular formula furigana： C13-H12-O11
Molecular weight： 344.228
InChI： InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)/t7-,8+,9-,10+/m0/s1
InChI key： AKRXKEBXBSHTKE-QCLAVDOMSA-N
SMILES： O[C@@H]([C@@H]1OC(=O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O
Systematic name  (4)：
  • (αS,2S)-α,4β-ジヒドロキシ-3α-(ガロイルオキシ)-5-オキソテトラヒドロフラン-2β-酢酸
  • 3-O-ガロイル-D-galacto-ヘキサル酸1,4-ラクトン
  • (2S)-2-ヒドロキシ-2-[(2S,3R,4R)-4-ヒドロキシ-5-オキソ-3-(3,4,5-トリヒドロキシベンゾイルオキシ)オキソラン-2-イル]酢酸
  • (2S)-2-hydroxy-2-[(2S,3R,4R)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
Other name (2)：
  • (αS,2S)-α,4β-Dihydroxy-3α-(galloyloxy)-5-oxotetrahydrofuran-2β-acetic acid
  • 3-O-Galloyl-D-galacto-hexaric acid 1,4-lactone
Thsaurus map：
Thesaurus Map

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