Chem
J-GLOBAL ID：200907046008705445   Nikkaji number：J1.299.517B

4-Methyl-7-[2-amino-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyloxy]-2H-1-benzopyran-2-one

4-メチル-7-[2-アミノ-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシルオキシ]-2H-1-ベンゾピラン-2-オン
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： C24H32N2O12
Molecular formula furigana： C24-H32-N2-O12
Molecular weight： 540.522
InChI： InChI=1S/C24H32N2O12/c1-9-5-16(30)35-13-6-11(3-4-12(9)13)34-23-17(25)20(32)22(15(8-28)37-23)38-24-18(26-10(2)29)21(33)19(31)14(7-27)36-24/h3-6,14-15,17-24,27-28,31-33H,7-8,25H2,1-2H3,(H,26,29)/t14-,15-,17-,18-,19-,20-,21-,22-,23-,24+/m1/s1
InChI key： WCTIPPOLTKCQMC-XSCCHYTGSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N)[C@H]1O
Systematic name  (4)：
  • 4-メチル-7-[2-アミノ-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシルオキシ]-2H-1-ベンゾピラン-2-オン
  • 7-[4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-アミノ-2-デオキシ-β-D-グルコピラノシルオキシ]-4-メチル-2H-1-ベンゾピラン-2-オン
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-アミノ-4-ヒドロキシ-2-(ヒドロキシメチル)-6-[(4-メチル-2-オキソ-2H-クロメン-7-イル)オキシ]オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (2)：
  • 4-Methyl-7-[2-amino-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyloxy]-2H-1-benzopyran-2-one
  • 7-[4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-amino-2-deoxy-β-D-glucopyranosyloxy]-4-methyl-2H-1-benzopyran-2-one
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