Chem
J-GLOBAL ID：200907056940954318   Nikkaji number：J1.400.041K

4-O-(4-O-α-D-Glucopyranosyl-6-O-caproyl-α-D-glucopyranosyl)-D-glucopyranose

4-O-(4-O-α-D-グルコピラノシル-6-O-カプロイル-α-D-グルコピラノシル)-D-グルコピラノース
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： C24H42O17
Molecular formula furigana： C24-H42-O17
Molecular weight： 602.583
InChI： InChI=1S/C24H42O17/c1-2-3-4-5-12(27)36-8-11-21(41-23-18(33)14(29)13(28)9(6-25)38-23)16(31)19(34)24(39-11)40-20-10(7-26)37-22(35)17(32)15(20)30/h9-11,13-26,28-35H,2-8H2,1H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22?,23-,24-/m1/s1
InChI key： QJIFXKATPFPQDW-PYMKZJNDSA-N
SMILES： CCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-O-(4-O-α-D-グルコピラノシル-6-O-カプロイル-α-D-グルコピラノシル)-D-グルコピラノース
  • [(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-6-{[(2R,3S,4R,5R)-4,5,6-トリヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3-{[(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 ヘキサノアート
  • [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methyl hexanoate
Other name (1)：
  • 4-O-(4-O-α-D-Glucopyranosyl-6-O-caproyl-α-D-glucopyranosyl)-D-glucopyranose
Thsaurus map：
Thesaurus Map

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