Chem
J-GLOBAL ID：200907014619363141   Nikkaji number：J956.827A

3-Methoxy-4-hydroxybenzoyl 2-O-(4-hydroxybenzoyl)-β-D-glucopyranoside

3-メトキシ-4-ヒドロキシベンゾイル2-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシド
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： C21H22O11
Molecular formula furigana： C21-H22-O11
Molecular weight： 450.396
InChI： InChI=1S/C21H22O11/c1-29-14-8-11(4-7-13(14)24)20(28)32-21-18(17(26)16(25)15(9-22)30-21)31-19(27)10-2-5-12(23)6-3-10/h2-8,15-18,21-26H,9H2,1H3/t15-,16-,17+,18-,21+/m1/s1
InChI key： ITOSXXHGQJTRPF-YKGACUOXSA-N
SMILES： COc1cc(ccc1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccc(O)cc1
Systematic name  (3)：
  • 3-メトキシ-4-ヒドロキシベンゾイル2-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-(4-ヒドロキシベンゾイルオキシ)-6-(ヒドロキシメチル)オキサン-2-イル 4-ヒドロキシ-3-メトキシベンゾアート
  • (2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyloxy)-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate
Other name (1)：
  • 3-Methoxy-4-hydroxybenzoyl 2-O-(4-hydroxybenzoyl)-β-D-glucopyranoside
Thsaurus map：
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