Chem
J-GLOBAL ID:200907001643784943   Nikkaji number:J1.821.798H

Monnieraside III

モンニエラシドIII
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: C21H24O10
Molecular formula furigana: C21-H24-O10
Molecular weight: 436.413
InChI: InChI=1S/C21H24O10/c22-10-16-17(26)18(27)19(31-20(28)12-2-4-13(23)5-3-12)21(30-16)29-8-7-11-1-6-14(24)15(25)9-11/h1-6,9,16-19,21-27H,7-8,10H2/t16-,17-,18+,19-,21-/m1/s1
InChI key: FBFNBXHEVIRMBP-GQUPQBGVSA-N
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](OC(=O)c2ccc(O)cc2)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 1-O-(3,4-ジヒドロキシフェネチル)-β-D-グルコピラノース2-(4-ヒドロキシベンゾアート)
  • (2R,3R,4S,5S,6R)-2-[2-(3,4-ジヒドロキシフェニル)エトキシ]-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル 4-ヒドロキシベンゾアート
  • (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 4-hydroxybenzoate
Other name (3):
  • 1-O-(3,4-Dihydroxyphenethyl)-β-D-glucopyranose 2-(4-hydroxybenzoate)
  • モンニエラシドIII
  • Monnieraside III
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