Chem
J-GLOBAL ID：200907073267008784   Nikkaji number：J2.623.305D

Chakanoside I

カカノシドI
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： C14H18O7
Molecular formula furigana： C14-H18-O7
Molecular weight： 298.291
InChI： InChI=1S/C14H18O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,10-15,17-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1
InChI key： CJQCIXJPXYAJCU-RKQHYHRCSA-N
SMILES： OC[C@H]1O[C@@H](OCC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-O-フェナシル-β-D-グルコピラノース
  • 1-フェニル-2-{[(2R,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}エタン-1-オン
  • 1-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-one
Other name (3)：
  • 1-O-Phenacyl-β-D-glucopyranose
  • カカノシドI
  • Chakanoside I
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