Chem
J-GLOBAL ID：201207042066971864   Nikkaji number：J3.009.454I

4-Hydroxyphenyl 2-O-[5-O-(3-methylbutyryl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside

4-ヒドロキシフェニル2-O-[5-O-(3-メチルブチリル)-D-アピオ-β-D-フラノシル]-β-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： C22H32O12
Molecular formula furigana： C22-H32-O12
Molecular weight： 488.486
InChI： InChI=1S/C22H32O12/c1-11(2)7-15(25)30-9-22(29)10-31-21(19(22)28)34-18-17(27)16(26)14(8-23)33-20(18)32-13-5-3-12(24)4-6-13/h3-6,11,14,16-21,23-24,26-29H,7-10H2,1-2H3/t14-,16-,17+,18-,19+,20-,21+,22-/m1/s1
InChI key： DLJLDXLEUWXUMD-PNJSOPMESA-N
SMILES： CC(C)CC(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • 4-ヒドロキシフェニル2-O-[5-O-(3-メチルブチリル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-(4-ヒドロキシフェノキシ)オキサン-3-イル]オキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル 3-メチルブタノアート
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate
Other name (1)：
  • 4-Hydroxyphenyl 2-O-[5-O-(3-methylbutyryl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
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