Chem
J-GLOBAL ID:200907049440308421   Nikkaji number:J1.183.884G

1-O,2-O,3-O,6-O-Tetraacetyl-4-O-[2-O,3-O,4-O-triacetyl-6-(acetylthio)-6-deoxy-β-D-glucopyranosyl]-α-D-glucopyranose

1-O,2-O,3-O,6-O-テトラアセチル-4-O-[2-O,3-O,4-O-トリアセチル-6-(アセチルチオ)-6-デオキシ-β-D-グルコピラノシル]-α-D-グルコピラノース
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: C28H38O18S
Molecular formula furigana: C28-H38-O18-S
Molecular weight: 694.650
InChI: InChI=1S/C28H38O18S/c1-11(29)37-9-19-21(23(39-13(3)31)25(41-15(5)33)27(44-19)43-17(7)35)46-28-26(42-16(6)34)24(40-14(4)32)22(38-12(2)30)20(45-28)10-47-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1
InChI key: XAZIRURNNBCPCR-AXXYRMHMSA-N
SMILES: CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](CSC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • 1-O,2-O,3-O,6-O-テトラアセチル-4-O-[2-O,3-O,4-O-トリアセチル-6-(アセチルチオ)-6-デオキシ-β-D-グルコピラノシル]-α-D-グルコピラノース
  • [(2R,3R,4S,5R,6R)-4,5,6-トリス(アセチルオキシ)-3-{[(2R,3R,4S,5S,6S)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルスルファニル)メチル]オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-4,5,6-tris(acetyloxy)-3-{[(2R,3R,4S,5S,6S)-3,4,5-tris(acetyloxy)-6-[(acetylsulfanyl)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
  • 1-O,2-O,3-O,6-O-Tetraacetyl-4-O-[2-O,3-O,4-O-triacetyl-6-(acetylthio)-6-deoxy-β-D-glucopyranosyl]-α-D-glucopyranose
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