Chem
J-GLOBAL ID：200907073748617997   Nikkaji number：J1.413.735A

Apiopaeonoside

アピオペオノシド
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： C20H28O12
Molecular formula furigana： C20-H28-O12
Molecular weight： 460.432
InChI： InChI=1S/C20H28O12/c1-9(22)11-4-3-10(28-2)5-12(11)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1
InChI key： IRLNKOAURQPXIQ-LTRJMQNCSA-N
SMILES： COc1ccc(C(=O)C)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • 2-アセチル-5-メトキシフェニル6-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシド
  • 1-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4-メトキシフェニル)エタン-1-オン
  • 1-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-methoxyphenyl)ethan-1-one
Other name (3)：
  • 2-Acetyl-5-methoxyphenyl 6-O-D-apio-β-D-furanosyl-β-D-glucopyranoside
  • アピオペオノシド
  • Apiopaeonoside
CAS registry number： 100291-86-9
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