Chem
J-GLOBAL ID：200907028612071367   Nikkaji number：J486.403D

3,5-Di-O-galloylshikimic acid

3,5-ジ-O-ガロイルシキミ酸
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： C21H18O13
Molecular formula furigana： C21-H18-O13
Molecular weight： 478.362
InChI： InChI=1S/C21H18O13/c22-10-1-8(2-11(23)16(10)26)20(31)33-14-5-7(19(29)30)6-15(18(14)28)34-21(32)9-3-12(24)17(27)13(25)4-9/h1-5,14-15,18,22-28H,6H2,(H,29,30)/t14-,15-,18-/m1/s1
InChI key： GASRJYBPBZZTBO-IIDMSEBBSA-N
SMILES： O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O)OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • (3R)-3β,5α-ビス[(3,4,5-トリヒドロキシベンゾイル)オキシ]-4β-ヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-4-ヒドロキシ-3,5-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)シクロヘキサ-1-エン-1-カルボン酸
  • (3R,4S,5R)-4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
Other name (3)：
  • 3,5-ジ-O-ガロイルシキミ酸
  • 3,5-Di-O-galloylshikimic acid
  • (3R)-3β,5α-Bis[(3,4,5-trihydroxybenzoyl)oxy]-4β-hydroxy-1-cyclohexene-1-carboxylic acid
Thsaurus map：
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