Chem
J-GLOBAL ID：200907041566023413   Nikkaji number：J955.246D

Calaliukiuenoside

カラリウキウエノシド
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： C20H36O11
Molecular formula furigana： C20-H36-O11
Molecular weight： 452.497
InChI： InChI=1S/C20H36O11/c1-3-5-6-7-10(4-2)29-20-18(27)16(25)14(23)12(31-20)9-28-19-17(26)15(24)13(22)11(8-21)30-19/h4,10-27H,2-3,5-9H2,1H3/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
InChI key： SSIWNCYQUXTPDX-JHSLDZJXSA-N
SMILES： CCCCC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=C
Systematic name  (3)：
  • [(R)-1-ビニルヘキシル]6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-[(3R)-オクタ-1-エン-3-イルオキシ]-6-({[(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}メチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-[(3R)-oct-1-en-3-yloxy]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (3)：
  • [(R)-1-Vinylhexyl]6-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • カラリウキウエノシド
  • Calaliukiuenoside
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