Chem
J-GLOBAL ID:200907024334202930   Nikkaji number:J2.152.767J

1-[2-O,3-O,6-O-Triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]-4-phenyl-1H-1,2,3-triazole

1-[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-β-D-グルコピラノシル]-4-フェニル-1H-1,2,3-トリアゾール
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: C34H41N3O17
Molecular formula furigana: C34-H41-N3-O17
Molecular weight: 763.706
InChI: InChI=1S/C34H41N3O17/c1-16(38)45-14-25-28(54-34-32(51-22(7)44)30(49-20(5)42)27(47-18(3)40)26(53-34)15-46-17(2)39)29(48-19(4)41)31(50-21(6)43)33(52-25)37-13-24(35-36-37)23-11-9-8-10-12-23/h8-13,25-34H,14-15H2,1-7H3/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
InChI key: PWMLDVAWLQHPAM-DWJUDJHJSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)C)O[C@H]([C@H](OC(=O)C)[C@H]2OC(=O)C)n2cc(nn2)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • 1-[2-O,3-O,6-O-トリアセチル-4-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-β-D-グルコピラノシル]-4-フェニル-1H-1,2,3-トリアゾール
  • [(2R,3S,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-{[(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-2-[(アセチルオキシ)メチル]-6-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)オキサン-3-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-phenyl-1H-1,2,3-triazol-1-yl)oxan-3-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • 1-[2-O,3-O,6-O-Triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]-4-phenyl-1H-1,2,3-triazole
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