Chem
J-GLOBAL ID:200907016673541066   Nikkaji number:J260.078A

Prodelphinidin B-4

プロデルフィニジンB-4
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: C37H30O18
Molecular formula furigana: C37-H30-O18
Molecular weight: 762.629
InChI: InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29+,33+,34-,35-/m1/s1
InChI key: JSBXKZFDEDBAQA-VZCJIROZSA-N
SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Systematic name  (4):
  • [(2R)-2α-(3,4,5-トリヒドロキシフェニル)-3,4-ジヒドロ-8-[[(2R)-2α-(3,4,5-トリヒドロキシフェニル)-3,4-ジヒドロ-3β,5,7-トリヒドロキシ-2H-1-ベンゾピラン]-4α-イル]-2H-1-ベンゾピラン]-3α,5,7-トリオール3-(3,4,5-トリヒドロキシベンゾアート)
  • (2R,2′R)-2α,2′α-ビス(3,4,5-トリヒドロキシフェニル)-3′α-(ガロイルオキシ)-4α,8′-ビクロマン-3β,5,5′,7,7′-ペンタオール
  • (2R,3R)-5,7-ジヒドロキシ-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]-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-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3R)-5,7-dihydroxy-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (4):
  • [(2R)-2α-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-8-[[(2R)-2α-(3,4,5-trihydroxyphenyl)-3,4-dihydro-3β,5,7-trihydroxy-2H-1-benzopyran]-4α-yl]-2H-1-benzopyran]-3α,5,7-triol 3-(3,4,5-trihydroxybenzoate)
  • (2R,2′R)-2α,2′α-Bis(3,4,5-trihydroxyphenyl)-3′α-(galloyloxy)-4α,8′-bichroman-3β,5,5′,7,7′-pentol
  • プロデルフィニジンB-4
  • Prodelphinidin B-4
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