Chem
J-GLOBAL ID：200907079942888673   Nikkaji number：J1.549.413A

4-Nitrophenyl 4-O-(3-O-β-D-galactopyranosyl-6-O-acetyl-β-D-galactopyranosyl)-β-D-xylopyranoside

4-ニトロフェニル4-O-(3-O-β-D-ガラクトピラノシル-6-O-アセチル-β-D-ガラクトピラノシル)-β-D-キシロピラノシド
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： C25H35[N+]O17[O-]
Molecular formula furigana： C25-H35-N-O18
Molecular weight： 637.544
InChI： InChI=1S/C25H35NO18/c1-9(28)38-7-14-17(31)22(44-24-20(34)18(32)15(29)12(6-27)41-24)21(35)25(43-14)42-13-8-39-23(19(33)16(13)30)40-11-4-2-10(3-5-11)26(36)37/h2-5,12-25,27,29-35H,6-8H2,1H3/t12-,13-,14-,15+,16+,17+,18+,19-,20-,21-,22+,23+,24+,25-/m1/s1
InChI key： YVSYFPSBAUGHPG-ADXQXHATSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3ccc(cc3)[N+](=O)[O-])[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 4-ニトロフェニル4-O-(3-O-β-D-ガラクトピラノシル-6-O-アセチル-β-D-ガラクトピラノシル)-β-D-キシロピラノシド
  • [(2R,3S,4S,5R,6R)-6-{[(3R,4R,5R,6S)-4,5-ジヒドロキシ-6-(4-ニトロフェノキシ)オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-4-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6R)-6-{[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl acetate
Other name (1)：
  • 4-Nitrophenyl 4-O-(3-O-β-D-galactopyranosyl-6-O-acetyl-β-D-galactopyranosyl)-β-D-xylopyranoside
Thsaurus map：
Thesaurus Map

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