Chem
J-GLOBAL ID：200907060485161794   Nikkaji number：J1.252.087E

4-(2-Oxo-2-methoxyethyl)benzyl 2-O,3-O,4-O-tribenzyl-6-O-[6-O-(4-azido-3-chlorobenzyl)-β-D-glucopyranosyl]-α-D-glucopyranoside

4-(2-オキソ-2-メトキシエチル)ベンジル2-O,3-O,4-O-トリベンジル-6-O-[6-O-(4-アジド-3-クロロベンジル)-β-D-グルコピラノシル]-α-D-グルコピラノシド
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： C50H54ClN[N-][N+]O13
Molecular formula furigana： C50-H54-CL-N3-O13
Molecular weight： 940.440
InChI： InChI=1S/C50H54ClN3O13/c1-59-42(55)24-32-17-19-36(20-18-32)29-64-50-48(63-28-35-15-9-4-10-16-35)47(62-27-34-13-7-3-8-14-34)46(61-26-33-11-5-2-6-12-33)41(67-50)31-65-49-45(58)44(57)43(56)40(66-49)30-60-25-37-21-22-39(53-54-52)38(51)23-37/h2-23,40-41,43-50,56-58H,24-31H2,1H3/t40-,41-,43-,44+,45-,46-,47+,48-,49-,50+/m1/s1
InChI key： QHVGXPHJPPBEHL-DJMZOXGOSA-N
SMILES： COC(=O)Cc1ccc(CO[C@H]2O[C@H](CO[C@@H]3O[C@H](COCc4ccc(N=[N+]=[N-])c(Cl)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
Systematic name  (3)：
  • 4-(2-オキソ-2-メトキシエチル)ベンジル2-O,3-O,4-O-トリベンジル-6-O-[6-O-(4-アジド-3-クロロベンジル)-β-D-グルコピラノシル]-α-D-グルコピラノシド
  • メチル 2-[4-({[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4S,5S,6R)-6-{[(4-アジド-3-クロロフェニル)メトキシ]メチル}-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)-3,4,5-トリス(ベンジルオキシ)オキサン-2-イル]オキシ}メチル)フェニル]アセタート
  • methyl 2-[4-({[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4S,5S,6R)-6-{[(4-azido-3-chlorophenyl)methoxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-tris(benzyloxy)oxan-2-yl]oxy}methyl)phenyl]acetate
Other name (1)：
  • 4-(2-Oxo-2-methoxyethyl)benzyl 2-O,3-O,4-O-tribenzyl-6-O-[6-O-(4-azido-3-chlorobenzyl)-β-D-glucopyranosyl]-α-D-glucopyranoside
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