Chem
J-GLOBAL ID:200907053050785838   Nikkaji number:J113.483C

Prunacin

プルナシン
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: C14H17NO6
Molecular formula furigana: C14-H17-N-O6
Molecular weight: 295.291
InChI: InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChI key: ZKSZEJFBGODIJW-GMDXDWKASA-N
SMILES: OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (7):
  • [(R)-α-シアノベンジル]β-D-グルコピラノシド
  • (R)-α-(β-D-グルコピラノシルオキシ)ベンゼンアセトニトリル
  • [(αR)-α-シアノベンジル]β-D-グルコピラノシド
  • (αR)-α-(β-D-グルコピラノシルオキシ)-α-フェニルアセトニトリル
  • (2R)-2-(β-D-グルコピラノシルオキシ)-2-フェニルアセトニトリル
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Other name (7):
  • プルナシン
  • Prunacin
  • (R)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile
  • Prunasin
  • [(αR)-α-Cyanobenzyl]β-D-glucopyranoside
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CAS registry number: 99-18-3
Regulation number (2):
  • UL3420000
  • EINECS2027380
KEGG COMPOUND: C00844
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