Chem
J-GLOBAL ID:200907072716869831   Nikkaji number:J783.810G

(GlcNAc)2-UMB

4-メチルウンベリフェリルβ-D-N,N′-ジアセチルキトビオシド
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: C26H34N2O13
Molecular formula furigana: C26-H34-N2-O13
Molecular weight: 582.559
InChI: InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChI key: UPSFMJHZUCSEHU-JYGUBCOQSA-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](NC(=O)C)[C@H]1O
Systematic name  (10):
  • 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-アセチルアミノ-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
  • 4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル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-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • 7-[2-(アセチルアミノ)-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]-4-メチル-2H-1-ベンゾピラン-2-オン
  • 4-メチル-7-[2-(アセチルアミノ)-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-(アセチルアミノ)-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
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Other name (10):
  • 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
  • 7-[2-(Acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyloxy]-4-methyl-2H-1-benzopyran-2-one
  • 4-Methyl-7-[2-(acetylamino)-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-(acetylamino)-2-deoxy-β-D-glucopyranosyloxy]-4-methyl-2H-1-benzopyran-2-one
  • [1-O-(2-Oxo-4-methyl-3-chromene-7-yl)-2-(acetylamino)-2,4-dideoxy-β-D-glucopyranose-4-yl]2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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