Chem
J-GLOBAL ID:200907096061614157   Nikkaji number:J1.549.417D

2,2,2-Trichloroacetimidic acid 2-O,3-O-diacetyl-4-O-[2-O,4-O,6-O-triacetyl-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-galactopyranosyl]-D-xylopyranosyl ester

2,2,2-トリクロロアセトイミド酸2-O,3-O-ジアセチル-4-O-[2-O,4-O,6-O-トリアセチル-3-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-ガラクトピラノシル]-D-キシロピラノシル
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: C37H48Cl3NO24
Molecular formula furigana: C37-H48-CL3-N-O24
Molecular weight: 997.120
InChI: InChI=1S/C37H48Cl3NO24/c1-13(42)51-10-22-25(54-15(3)44)28(57-18(6)47)31(59-20(8)49)35(63-22)64-29-26(55-16(4)45)23(11-52-14(2)43)61-34(32(29)60-21(9)50)62-24-12-53-33(65-36(41)37(38,39)40)30(58-19(7)48)27(24)56-17(5)46/h22-35,41H,10-12H2,1-9H3/t22-,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33?,34+,35+/m1/s1
InChI key: QMXMMPPFAYAXAB-VFCKZJNDSA-N
SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@@H]2COC(OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • 2,2,2-トリクロロアセトイミド酸2-O,3-O-ジアセチル-4-O-[2-O,4-O,6-O-トリアセチル-3-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-ガラクトピラノシル]-D-キシロピラノシル
  • [(2R,3S,4S,5R,6S)-3,5-ビス(アセチルオキシ)-6-{[(3R,4S,5R)-4,5-ビス(アセチルオキシ)-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]オキサン-3-イル]オキシ}-4-{[(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,3S,4S,5R,6S)-3,5-bis(acetyloxy)-6-{[(3R,4S,5R)-4,5-bis(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl]oxy}-4-{[(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):
  • 2,2,2-Trichloroacetimidic acid 2-O,3-O-diacetyl-4-O-[2-O,4-O,6-O-triacetyl-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-β-D-galactopyranosyl]-D-xylopyranosyl ester
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