Chem
J-GLOBAL ID：200907001720123130   Nikkaji number：J146.600C

Diffutin

ジフチン
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： C23H28O10
Molecular formula furigana： C23-H28-O10
Molecular weight： 464.467
InChI： InChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1
InChI key： ZNWIOJJMPZWSQO-YRDUZITASA-N
SMILES： COc1ccc(cc1OC)[C@@H]1CCc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O1
Systematic name  (3)：
  • [(S)-2-(3,4-ジメトキシフェニル)-3,4-ジヒドロ-7-ヒドロキシ-2H-1-ベンゾピラン-5-イル]β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-(3,4-ジメトキシフェニル)-7-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-5-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • ジフチン
  • Diffutin
  • [(S)-2-(3,4-Dimethoxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl]β-D-glucopyranoside
CAS registry number： 89289-91-8
KEGG COMPOUND： C09636
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