Chem
J-GLOBAL ID：200907086262053948   Nikkaji number：J56.251C

Proacaciberin

プロアカシベリン
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： C16H25NO10
Molecular formula furigana： C16-H25-N-O10
Molecular weight： 391.373
InChI： InChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
InChI key： BHUCUDQLYLLDIA-ZHFVSHRQSA-N
SMILES： CC(=C)[C@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N
Systematic name  (3)：
  • [S,(-)]-2-[(6-O-α-L-アラビノピラノシル-β-D-グルコピラノシル)オキシ]-3-メチル-3-ブテンニトリル
  • (2S)-3-メチル-2-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}ブタ-3-エンニトリル
  • (2S)-3-methyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}but-3-enenitrile
Other name (3)：
  • プロアカシベリン
  • Proacaciberin
  • [S,(-)]-2-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-3-methyl-3-butenenitrile
CAS registry number： 79197-21-0
KEGG COMPOUND： C08337
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