Chem
J-GLOBAL ID：200907094532587195   Nikkaji number：J2.089.097E

Dichotomoside E

ジコトモシドE
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： C20H30O9
Molecular formula furigana： C20-H30-O9
Molecular weight： 414.451
InChI： InChI=1S/C20H30O9/c1-3-4-9-27-16(22)8-6-12-5-7-13(14(10-12)26-2)28-20-19(25)18(24)17(23)15(11-21)29-20/h5,7,10,15,17-21,23-25H,3-4,6,8-9,11H2,1-2H3/t15-,17-,18+,19-,20-/m1/s1
InChI key： XTIIKSGREOOAOR-XIKSMUEASA-N
SMILES： CCCCOC(=O)CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
Systematic name  (3)：
  • 3-メトキシ-4-(β-D-グルコピラノシルオキシ)ベンゼンプロピオン酸ブチル
  • ブチル 3-(3-メトキシ-4-{[(2S,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}フェニル)プロパノアート
  • butyl 3-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
Other name (3)：
  • 3-Methoxy-4-(β-D-glucopyranosyloxy)benzenepropionic acid butyl ester
  • ジコトモシドE
  • Dichotomoside E
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