Chem
J-GLOBAL ID：200907076321019460   Nikkaji number：J585.943C

Cibarian

シバリアン
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： C12H18[N+]2O10[O-]2
Molecular formula furigana： C12-H18-N2-O12
Molecular weight： 382.278
InChI： InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1
InChI key： PUSAAHYGRLPDMQ-JPXBYFMYSA-N
SMILES： O[C@H]1[C@H](O)[C@@H](COC(=O)CC[N+](=O)[O-])O[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H]1O
Systematic name  (4)：
  • 1-O,6-O-ビス(3-ニトロプロパノイル)-β-D-グルコピラノース
  • β-D-グルコピラノース1,6-ジ(3-ニトロプロパノアート)
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-[(3-ニトロプロパノイル)オキシ]オキサン-2-イル]メチル 3-ニトロプロパノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-nitropropanoyl)oxy]oxan-2-yl]methyl 3-nitropropanoate
Other name (4)：
  • シバリアン
  • Cibarian
  • 1-O,6-O-Bis(3-nitropropanoyl)-β-D-glucopyranose
  • β-D-Glucopyranose 1,6-di(3-nitropropanoate)
CAS registry number： 39797-90-5
KEGG COMPOUND： C08473
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