Chem
J-GLOBAL ID：201707021290093201   Nikkaji number：J3.575.171H

1-O-(1-Imino-2,2,2-trichloroethyl)-3-O-(2-O,3-O,4-O-tribenzoyl-6-O-methyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-2-O-benzyl-β-D-galactopyranose

1-O-(1-イミノ-2,2,2-トリクロロエチル)-3-O-(2-O,3-O,4-O-トリベンゾイル-6-O-メチル-β-D-グルコピラヌロノシル)-4-O,6-O-ジアセチル-2-O-ベンジル-β-D-ガラクトピラノース
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： C47H44Cl3NO17
Molecular formula furigana： C47-H44-CL3-N-O17
Molecular weight： 1001.210
InChI： InChI=1S/C47H44Cl3NO17/c1-26(52)59-25-32-33(61-27(2)53)34(38(60-24-28-16-8-4-9-17-28)44(62-32)68-46(51)47(48,49)50)66-45-39(65-42(56)31-22-14-7-15-23-31)36(64-41(55)30-20-12-6-13-21-30)35(37(67-45)43(57)58-3)63-40(54)29-18-10-5-11-19-29/h4-23,32-39,44-45,51H,24-25H2,1-3H3/t32-,33+,34+,35+,36+,37+,38-,39-,44+,45-/m1/s1
InChI key： XQOSHJDRJWAGDM-AJHJBRCYSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • 1-O-(1-イミノ-2,2,2-トリクロロエチル)-3-O-(2-O,3-O,4-O-トリベンゾイル-6-O-メチル-β-D-グルコピラヌロノシル)-4-O,6-O-ジアセチル-2-O-ベンジル-β-D-ガラクトピラノース
  • メチル (2S,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-3-(アセチルオキシ)-2-[(アセチルオキシ)メチル]-5-(ベンジルオキシ)-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]オキサン-4-イル]オキシ}-3,4,5-トリス(ベンゾイルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-3-(acetyloxy)-2-[(acetyloxy)methyl]-5-(benzyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-4-yl]oxy}-3,4,5-tris(benzoyloxy)oxane-2-carboxylate
Other name (1)：
  • 1-O-(1-Imino-2,2,2-trichloroethyl)-3-O-(2-O,3-O,4-O-tribenzoyl-6-O-methyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-2-O-benzyl-β-D-galactopyranose
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