Chem
J-GLOBAL ID：200907036194784389   Nikkaji number：J2.169.631E

1-Imino-2,2,2-trichloroethyl 2-O-benzoyl-3-O,4-O-dibenzyl-6-O-[2-O-[2-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-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-(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)-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： C114H128Cl3NO23Si
Molecular formula furigana： C114-H128-CL3-N-O23-SI
Molecular weight： 2014.700
InChI： InChI=1S/C114H128Cl3NO23Si/c1-77(2)142(78(3)4,79(5)6)132-76-95-99(126-68-86-51-29-13-30-52-86)103(130-72-90-59-37-17-38-60-90)107(140-110-105(133-80(7)119)101(128-70-88-55-33-15-34-56-88)97(124-66-84-47-25-11-26-48-84)93(135-110)74-122-64-82-43-21-9-22-44-82)111(137-95)139-104-100(127-69-87-53-31-14-32-54-87)96(123-65-83-45-23-10-24-46-83)92(73-121-63-81-41-19-8-20-42-81)134-109(104)131-75-94-98(125-67-85-49-27-12-28-50-85)102(129-71-89-57-35-16-36-58-89)106(112(136-94)141-113(118)114(115,116)117)138-108(120)91-61-39-18-40-62-91/h8-62,77-79,92-107,109-112,118H,63-76H2,1-7H3/t92-,93-,94-,95-,96-,97-,98-,99-,100+,101+,102+,103+,104+,105+,106+,107+,109+,110-,111-,112-/m1/s1
InChI key： QXVGYKJXCAWBTK-BFMXAPISSA-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](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2OC(=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-(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)-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-{[(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-[(ベンジルオキシ)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-({[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-{[(2R,3S,4S,5R,6R)-3-(acetyloxy)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-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-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-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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