Chem
J-GLOBAL ID:200907040112004248   Nikkaji number:J2.150.758J

Stachyspinoside

スタキスピノシド
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: C30H34O17
Molecular formula furigana: C30-H34-O17
Molecular weight: 666.585
InChI: InChI=1S/C30H34O17/c1-11(32)42-10-21-24(37)25(38)27(40)29(46-21)47-28-26(39)23(36)20(9-31)45-30(28)43-13-6-15(34)22-16(35)8-17(44-19(22)7-13)12-3-4-14(33)18(5-12)41-2/h3-8,20-21,23-31,33-34,36-40H,9-10H2,1-2H3/t20-,21-,23-,24-,25-,26+,27-,28-,29+,30-/m1/s1
InChI key: XEOMCDDFSGTWFB-BGTXGAQMSA-N
SMILES: COc1cc(ccc1O)c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)C)[C@@H](O)[C@@H](O)[C@H]3O)cc2o1
Systematic name  (4):
  • 2-(4-ヒドロキシ-3-メトキシフェニル)-5-ヒドロキシ-4-オキソ-4H-1-ベンゾピラン-7-イル2-O-(6-O-アセチル-β-D-アロピラノシル)-β-D-グルコピラノシド
  • 7-[[2-O-(6-O-アセチル-β-D-アロピラノシル)-β-D-グルコピラノシル]オキシ]-5-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-4H-1-ベンゾピラン-4-オン
  • [(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-{[5-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-4-オキソ-4H-クロメン-7-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3S,4R,5R,6S)-6-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (4):
  • 2-(4-Hydroxy-3-methoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-O-acetyl-β-D-allopyranosyl)-β-D-glucopyranoside
  • 7-[[2-O-(6-O-Acetyl-β-D-allopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • スタキスピノシド
  • Stachyspinoside
CAS registry number: 405199-06-6
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