Chem
J-GLOBAL ID：200907066514249335   Nikkaji number：J1.913.646I

4-Nitrophenyl 4-O-[4-O-[4-O-(4-O-β-D-mannopyranosyl-β-D-mannopyranosyl)-β-D-mannopyranosyl]-β-D-mannopyranosyl]-β-D-mannopyranoside

4-ニトロフェニル4-O-[4-O-[4-O-(4-O-β-D-マンノピラノシル-β-D-マンノピラノシル)-β-D-マンノピラノシル]-β-D-マンノピラノシル]-β-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： C36H55[N+]O27[O-]
Molecular formula furigana： C36-H55-N-O28
Molecular weight： 949.815
InChI： InChI=1S/C36H55NO28/c38-5-12-17(43)18(44)23(49)33(57-12)62-29-14(7-40)59-35(25(51)20(29)46)64-31-16(9-42)61-36(27(53)22(31)48)65-30-15(8-41)60-34(26(52)21(30)47)63-28-13(6-39)58-32(24(50)19(28)45)56-11-3-1-10(2-4-11)37(54)55/h1-4,12-36,38-53H,5-9H2/t12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36+/m1/s1
InChI key： YXGBAQKCCMQLGH-RFNWPWQLSA-N
SMILES： OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O[C@H]4[C@H](O)[C@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@H](Oc6ccc(cc6)[N+](=O)[O-])O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 4-ニトロフェニル4-O-[4-O-[4-O-(4-O-β-D-マンノピラノシル-β-D-マンノピラノシル)-β-D-マンノピラノシル]-β-D-マンノピラノシル]-β-D-マンノピラノシド
  • (2S,3S,4S,5S,6R)-2-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-(4-ニトロフェノキシ)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3S,4S,5S,6R)-2-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-6-{[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 4-Nitrophenyl 4-O-[4-O-[4-O-(4-O-β-D-mannopyranosyl-β-D-mannopyranosyl)-β-D-mannopyranosyl]-β-D-mannopyranosyl]-β-D-mannopyranoside
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