Chem
J-GLOBAL ID:200907002847063915   Nikkaji number:J1.656.876G

Allyl 4-O-[3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranoside

アリル4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-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: C23H39NO16
Molecular formula furigana: C23-H39-N-O16
Molecular weight: 585.556
InChI: InChI=1S/C23H39NO16/c1-3-4-35-22-17(33)16(32)19(11(7-27)38-22)39-23-18(34)20(14(30)10(6-26)37-23)40-21-12(24-8(2)28)15(31)13(29)9(5-25)36-21/h3,9-23,25-27,29-34H,1,4-7H2,2H3,(H,24,28)/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23+/m1/s1
InChI key: CUPVIHMTYHJVSN-SFSHTCNPSA-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](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC=C)O[C@@H]2CO)[C@@H]1O
Systematic name  (3):
  • アリル4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-β-D-グルコピラノシド
  • N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-(プロパ-2-エン-1-イルオキシ)オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-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-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (1):
  • Allyl 4-O-[3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-galactopyranosyl]-β-D-glucopyranoside
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