Chem
J-GLOBAL ID：200907020772869003   Nikkaji number：J2.176.593G

1-Imino-2,2,2-trichloroethyl 2-O-benzoyl-3-O,4-O-dibenzyl-6-O-[2-O-[2-O-acetyl-3-O,4-O-dibenzyl-6-O-(triisopropylsilyl)-α-D-mannopyranosyl]-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-[2-O-アセチル-3-O,4-O-ジベンジル-6-O-(トリイソプロピルシリル)-α-D-マンノピラノシル]-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： C87H100Cl3NO18Si
Molecular formula furigana： C87-H100-CL3-N-O18-SI
Molecular weight： 1582.180
InChI： InChI=1S/C87H100Cl3NO18Si/c1-58(2)110(59(3)4,60(5)6)102-57-72-75(97-51-65-38-22-11-23-39-65)77(99-53-67-42-26-13-27-43-67)80(103-61(7)92)84(106-72)108-79-76(98-52-66-40-24-12-25-41-66)73(95-49-63-34-18-9-19-35-63)70(55-94-48-62-32-16-8-17-33-62)104-83(79)101-56-71-74(96-50-64-36-20-10-21-37-64)78(100-54-68-44-28-14-29-45-68)81(85(105-71)109-86(91)87(88,89)90)107-82(93)69-46-30-15-31-47-69/h8-47,58-60,70-81,83-85,91H,48-57H2,1-7H3/t70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,83+,84-,85-/m1/s1
InChI key： JKMJJGICYTZCSP-UPFZEHLNSA-N
SMILES： CC(C)[Si](OC[C@H]1O[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(=O)c4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](OC(=O)C)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C
Systematic name  (3)：
  • 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-[2-O-アセチル-3-O,4-O-ジベンジル-6-O-(トリイソプロピルシリル)-α-D-マンノピラノシル]-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
  • (2R,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-3-{[(2R,3S,4S,5R,6R)-3-(アセチルオキシ)-4,5-ビス(ベンジルオキシ)-6-({[トリス(プロパン-2-イル)シリル]オキシ}メチル)オキサン-2-イル]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-{[(2R,3S,4S,5R,6R)-3-(acetyloxy)-4,5-bis(benzyloxy)-6-({[tris(propan-2-yl)silyl]oxy}methyl)oxan-2-yl]oxy}-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 (1)：
  • 1-Imino-2,2,2-trichloroethyl 2-O-benzoyl-3-O,4-O-dibenzyl-6-O-[2-O-[2-O-acetyl-3-O,4-O-dibenzyl-6-O-(triisopropylsilyl)-α-D-mannopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl]-α-D-mannopyranoside
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