Chem
J-GLOBAL ID:200907024608194688   Nikkaji number:J1.221.553C

1-[(4-Nitrophenoxy)methyl]-1-deoxy-3-O-[3-O-[3-O-(β-D-glucopyranosylmethyl)-β-D-glucopyranosylmethyl]-β-D-glucopyranosylmethyl]-β-D-glucopyranose

1-[(4-ニトロフェノキシ)メチル]-1-デオキシ-3-O-[3-O-[3-O-(β-D-グルコピラノシルメチル)-β-D-グルコピラノシルメチル]-β-D-グルコピラノシルメチル]-β-D-グルコピラノース
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: C34H53[N+]O22[O-]
Molecular formula furigana: C34-H53-N-O23
Molecular weight: 843.782
InChI: InChI=1S/C34H53NO23/c36-5-15-23(40)31(48)24(41)19(55-15)10-52-33-26(43)17(7-38)57-21(29(33)46)12-54-34-27(44)18(8-39)58-22(30(34)47)11-53-32-25(42)16(6-37)56-20(28(32)45)9-51-14-3-1-13(2-4-14)35(49)50/h1-4,15-34,36-48H,5-12H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+/m1/s1
InChI key: KIMKCFULFSJVGJ-LXAKCLGBSA-N
SMILES: OC[C@H]1O[C@@H](CO[C@H]2[C@H](O)[C@@H](CO)O[C@@H](CO[C@H]3[C@H](O)[C@@H](CO)O[C@@H](CO[C@H]4[C@H](O)[C@@H](CO)O[C@@H](COc5ccc(cc5)[N+](=O)[O-])[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 1-[(4-ニトロフェノキシ)メチル]-1-デオキシ-3-O-[3-O-[3-O-(β-D-グルコピラノシルメチル)-β-D-グルコピラノシルメチル]-β-D-グルコピラノシルメチル]-β-D-グルコピラノース
  • (2S,3R,4S,5S,6R)-2-({[(2S,3S,4S,5R,6R)-2-({[(2S,3S,4S,5R,6R)-2-({[(2R,3R,4S,5S,6S)-3,5-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)メチル]オキサン-4-イル]オキシ}メチル)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}メチル)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}メチル)-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-({[(2S,3S,4S,5R,6R)-2-({[(2S,3S,4S,5R,6R)-2-({[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(4-nitrophenoxy)methyl]oxan-4-yl]oxy}methyl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}methyl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}methyl)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • 1-[(4-Nitrophenoxy)methyl]-1-deoxy-3-O-[3-O-[3-O-(β-D-glucopyranosylmethyl)-β-D-glucopyranosylmethyl]-β-D-glucopyranosylmethyl]-β-D-glucopyranose
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