Chem
J-GLOBAL ID:200907048548980057   Nikkaji number:J743.420K

1-O,4-O-Dioctanoyl-β-D-fructopyranosyl α-D-glucopyranoside

1-O,4-O-ジオクタノイル-β-D-フルクトピラノシルα-D-グルコピラノシド
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: C28H50O13
Molecular formula furigana: C28-H50-O13
Molecular weight: 594.695
InChI: InChI=1S/C28H50O13/c1-3-5-7-9-11-13-20(31)37-17-28(41-27-24(35)23(34)22(33)19(15-29)39-27)26(36)25(18(30)16-38-28)40-21(32)14-12-10-8-6-4-2/h18-19,22-27,29-30,33-36H,3-17H2,1-2H3/t18-,19-,22-,23+,24-,25-,26+,27-,28+/m1/s1
InChI key: WBHLRWRDOCABOU-MXYWGINSSA-N
SMILES: CCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H](OC(=O)CCCCCCC)[C@@H]1O
Systematic name  (3):
  • 1-O,4-O-ジオクタノイル-β-D-フルクトピラノシルα-D-グルコピラノシド
  • [(2S,3S,4R,5R)-3,5-ジヒドロキシ-4-(オクタノイルオキシ)-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}オキサン-2-イル]メチル オクタノアート
  • [(2S,3S,4R,5R)-3,5-dihydroxy-4-(octanoyloxy)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl octanoate
Other name (1):
  • 1-O,4-O-Dioctanoyl-β-D-fructopyranosyl α-D-glucopyranoside
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