Chem
J-GLOBAL ID:200907031656557837   Nikkaji number:J412.513D

Gallocatechin-(4α→8)-epicatechin

ガロカテキン-(4α→8)-エピカテキン
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(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
InChI key: ZYDDITZPGFXQSD-QKFRQTJPSA-N
SMILES: O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (4):
  • (2R,2′R)-2α-(3,4,5-トリヒドロキシフェニル)-2′α-(3,4-ジ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)-8-[(2R)-2α-(3,4,5-トリヒドロキシフェニル)-3β,5,7-トリヒドロキシ-2,3-ジヒドロ-4H-1-ベンゾピラン-4α-イル]-2α-(3,4-ジヒドロキシフェニル)-3α,5,7-トリヒドロキシ-2,3-ジヒドロ-4H-1-ベンゾピラン
  • (2R,3R)-2-(3,4-ジヒドロキシフェニル)-8-[(2R,3S,4S)-3,5,7-トリヒドロキシ-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-4-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (4):
  • ガロカテキン-(4α→8)-エピカテキン
  • Gallocatechin-(4α→8)-epicatechin
  • (2R,2′R)-2α-(3,4,5-Trihydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-4α,8′-bichroman-3β,3′α,5,5′,7,7′-hexol
  • (2R)-8-[(2R)-2α-(3,4,5-Trihydroxyphenyl)-3β,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4α-yl]-2α-(3,4-dihydroxyphenyl)-3α,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran
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