Chem
J-GLOBAL ID：200907024467254339   Nikkaji number：J412.512F

Catechin-(4α→8)-epigallocatechin

カテキン-(4α→8)-エピガロカテキン
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： C30H26O13
Molecular formula furigana： C30-H26-O13
Molecular weight： 594.525
InChI： InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
InChI key： YJMNEZANCYQLJR-QKFRQTJPSA-N
SMILES： O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • (2R,2′R)-2α-(3,4-ジヒドロキシフェニル)-2′α-(3,4,5-トリヒドロキシフェニル)-4α,8′-ビクロマン-3β,3′α,5,5′,7,7′-ヘキサオール
  • (2R,3R)-8-[(2R,3S,4S)-2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-(3,4,5-トリヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • (2R,3R)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (3)：
  • カテキン-(4α→8)-エピガロカテキン
  • Catechin-(4α→8)-epigallocatechin
  • (2R,2′R)-2α-(3,4-Dihydroxyphenyl)-2′α-(3,4,5-trihydroxyphenyl)-4α,8′-bichroman-3β,3′α,5,5′,7,7′-hexol
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