Chem
J-GLOBAL ID:200907095215371906   Nikkaji number:J412.304B

Lotaustralin

ロタウストラリン
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: C11H19NO6
Molecular formula furigana: C11-H19-N-O6
Molecular weight: 261.274
InChI: InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-/m1/s1
InChI key: WEWBWVMTOYUPHH-QHAQEBJBSA-N
SMILES: CC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name  (3):
  • (2R)-2-(β-D-グルコピラノシルオキシ)-2-メチルブタンニトリル
  • (2R)-2-メチル-2-{[(2S,3R,4S,5S,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}ブタンニトリル
  • (2R)-2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
Other name (3):
  • ロタウストラリン
  • Lotaustralin
  • (2R)-2-(β-D-Glucopyranosyloxy)-2-methylbutanenitrile
CAS registry number: 534-67-8
KEGG COMPOUND: C08334
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