Chem
J-GLOBAL ID:200907007326957300   Nikkaji number:J2.176.592I

1-Imino-2,2,2-trichloroethyl 2-O-benzoyl-3-O,4-O-dibenzyl-6-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-α-D-mannopyranoside

1-イミノ-2,2,2-トリクロロエチル2-O-ベンゾイル-3-O,4-O-ジベンジル-6-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-α-D-マンノピラノシド
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: C58H58Cl3NO13
Molecular formula furigana: C58-H58-CL3-N-O13
Molecular weight: 1083.450
InChI: InChI=1S/C58H58Cl3NO13/c1-39(63)71-52-50(68-35-43-26-14-5-15-27-43)48(66-33-41-22-10-3-11-23-41)46(37-65-32-40-20-8-2-9-21-40)72-55(52)70-38-47-49(67-34-42-24-12-4-13-25-42)51(69-36-44-28-16-6-17-29-44)53(56(73-47)75-57(62)58(59,60)61)74-54(64)45-30-18-7-19-31-45/h2-31,46-53,55-56,62H,32-38H2,1H3/t46-,47-,48-,49-,50+,51+,52+,53+,55+,56-/m1/s1
InChI key: WTWHSBYXULQBBN-AVCIPFSTSA-N
SMILES: CC(=O)O[C@@H]1[C@@H](OC[C@H]2O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(=O)c3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Systematic name  (4):
  • 1-イミノ-2,2,2-トリクロロエチル2-O-ベンゾイル-3-O,4-O-ジベンジル-6-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-α-D-マンノピラノシド
  • 1-O-(1-イミノ-2,2,2-トリクロロエチル)-3-O,4-O-ジベンジル-6-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-α-D-マンノピラノース2-ベンゾアート
  • (2R,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-3-(アセチルオキシ)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}メチル)-4,5-ビス(ベンジルオキシ)-2-[(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 ベンゾアート
  • (2R,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-3-(acetyloxy)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}methyl)-4,5-bis(benzyloxy)-2-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl benzoate
Other name (2):
  • 1-Imino-2,2,2-trichloroethyl 2-O-benzoyl-3-O,4-O-dibenzyl-6-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-α-D-mannopyranoside
  • 1-O-(1-Imino-2,2,2-trichloroethyl)-3-O,4-O-dibenzyl-6-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-α-D-mannopyranose 2-benzoate
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