Chem
J-GLOBAL ID：200907045505355206   Nikkaji number：J1.504.769K

1-O-[5-(Acetylthio)pentyl]-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-triacetate

1-O-[5-(アセチルチオ)ペンチル]-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-グルコピラノース2,3,6-トリアセタート
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： C33H48O19S
Molecular formula furigana： C33-H48-O19-S
Molecular weight： 780.790
InChI： InChI=1S/C33H48O19S/c1-16(34)43-14-24-26(45-18(3)36)28(46-19(4)37)31(49-22(7)40)33(51-24)52-27-25(15-44-17(2)35)50-32(42-12-10-9-11-13-53-23(8)41)30(48-21(6)39)29(27)47-20(5)38/h24-33H,9-15H2,1-8H3/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
InChI key： GDQXQBSHNYWLHZ-LZWHNZSHSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](OCCCCCSC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • 1-O-[5-(アセチルチオ)ペンチル]-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-グルコピラノース2,3,6-トリアセタート
  • [(2R,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-{[5-(アセチルスルファニル)ペンチル]オキシ}-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)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-bis(acetyloxy)-6-{[5-(acetylsulfanyl)pentyl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1)：
  • 1-O-[5-(Acetylthio)pentyl]-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-triacetate
Thsaurus map：
Thesaurus Map

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