Chem
J-GLOBAL ID:200907030712429859   Nikkaji number:J2.128.423H

Procyanidin B3 3-gallate

プロシアニジンB33-ガラート
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: C37H30O16
Molecular formula furigana: C37-H30-O16
Molecular weight: 730.631
InChI: InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31-,33+,34+,36-/m0/s1
InChI key: BXWABJPTCUDBMM-UDGCLMCYSA-N
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (4):
  • (2R)-2α-(3,4-ジヒドロキシフェニル)-3β-(ガロイルオキシ)-4α-[(2R)-2α-(3,4-ジヒドロキシフェニル)-3β,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-5,7-ジオール
  • (2R,2′R)-2,2′-ビス(3,4-ジヒドロキシフェニル)-3β-(ガロイルオキシ)-4α,8′-ビクロマン-3′β,5,5′,7,7′-ペンタオール
  • (2R,3S,4S)-2-(3,4-ジヒドロキシフェニル)-4-[(2R,3S)-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-8-イル]-5,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (4):
  • (2R)-2α-(3,4-Dihydroxyphenyl)-3β-(galloyloxy)-4α-[(2R)-2α-(3,4-dihydroxyphenyl)-3β,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-5,7-diol
  • (2R,2′R)-2,2′-Bis(3,4-dihydroxyphenyl)-3β-(galloyloxy)-4α,8′-bichroman-3′β,5,5′,7,7′-pentaol
  • プロシアニジンB33-ガラート
  • Procyanidin B3 3-gallate
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