Chem
J-GLOBAL ID：200907083060788408   Nikkaji number：J540.907A

(+)-Catechin 5-O-β-D-glucopyranoside

(+)-カテキン5-O-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： C21H24O11
Molecular formula furigana： C21-H24-O11
Molecular weight： 452.412
InChI： InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2/t13-,16+,17+,18-,19+,20+,21+/m0/s1
InChI key： ZESJTWVSXGZYTD-FBEISHDNSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc(O)cc3O[C@@H]([C@@H](O)Cc23)c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • (2R,3S)-5-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-2-(3,4-ジヒドロキシフェニル)-2H-1-ベンゾピラン-3,7-ジオール
  • (2R)-2α-(3,4-ジヒドロキシフェニル)-5-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-2H-1-ベンゾピラン-3β,7-ジオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S)-2-(3,4-ジヒドロキシフェニル)-3,7-ジヒドロキシ-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-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (4)：
  • (+)-カテキン5-O-β-D-グルコピラノシド
  • (+)-Catechin 5-O-β-D-glucopyranoside
  • (2R,3S)-5-(β-D-Glucopyranosyloxy)-3,4-dihydro-2-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3,7-diol
  • (2R)-2α-(3,4-Dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-1-benzopyran-3β,7-diol
Thsaurus map：
Thesaurus Map

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