Chem
J-GLOBAL ID:200907050922234032   Nikkaji number:J1.364.324E

Benzyl 2-O,3-O-diacetyl-4-O-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]-β-D-xylopyranoside

ベンジル2-O,3-O-ジアセチル-4-O-[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]-β-D-キシロピラノシド
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: C42H54O24
Molecular formula furigana: C42-H54-O24
Molecular weight: 942.870
InChI: InChI=1S/C42H54O24/c1-19(43)52-16-29-32(56-21(3)45)35(58-23(5)47)39(62-27(9)51)42(65-29)66-33-30(17-53-20(2)44)63-41(38(61-26(8)50)36(33)59-24(6)48)64-31-18-55-40(54-15-28-13-11-10-12-14-28)37(60-25(7)49)34(31)57-22(4)46/h10-14,29-42H,15-18H2,1-9H3/t29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+/m1/s1
InChI key: AVIDVFFUMOQVLU-SBXIHTGDSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](OCc3ccccc3)[C@H](OC(=O)C)[C@H]2OC(=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):
  • ベンジル2-O,3-O-ジアセチル-4-O-[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]-β-D-キシロピラノシド
  • [(2R,3R,4S,5R,6S)-4,5-ビス(アセチルオキシ)-6-{[(3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-(ベンジルオキシ)オキサン-3-イル]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,6S)-4,5-bis(acetyloxy)-6-{[(3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-(benzyloxy)oxan-3-yl]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):
  • Benzyl 2-O,3-O-diacetyl-4-O-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]-β-D-xylopyranoside
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