Chem
J-GLOBAL ID:200907038586584011   Nikkaji number:J897.143I

(2R,2′R)-2α-(3,4,5-Trihydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3α,3′α-bis(galloyloxy)-4β,8′-bichroman-5,5′,7,7′-tetrol

(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)-3α,3′α-ビス(ガロイルオキシ)-4β,8′-ビクロマン-5,5′,7,7′-テトラオール
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: C44H34O21
Molecular formula furigana: C44-H34-O21
Molecular weight: 898.735
InChI: InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(15-4-25(51)36(57)26(52)5-15)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)14-1-2-20(46)22(48)3-14/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1
InChI key: AKLZJACFWIKHEV-WZPNJOEPSA-N
SMILES: Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1)c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1
Systematic name  (4):
  • 3,4,5-トリヒドロキシ安息香酸[(2R)-2α-(3,4-ジヒドロキシフェニル)-3,4-ジヒドロ-5,7-ジヒドロキシ-8-[[(2R,3R)-3,4-ジヒドロ-2α-(3,4,5-トリヒドロキシフェニル)-3α-[(3,4,5-トリヒドロキシベンゾイル)オキシ]-5,7-ジヒドロキシ-2H-1-ベンゾピラン]-4β-イル]-2H-1-ベンゾピラン]-3α-イル
  • (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)-3α,3′α-ビス(ガロイルオキシ)-4β,8′-ビクロマン-5,5′,7,7′-テトラオール
  • (2R,3R,4R)-4-[(2R,3R)-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-(3,4,5-トリヒドロキシベンゾイルオキシ)-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-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,4R)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (2):
  • 3,4,5-Trihydroxybenzoic acid [(2R)-2α-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-8-[[(2R,3R)-3,4-dihydro-2α-(3,4,5-trihydroxyphenyl)-3α-[(3,4,5-trihydroxybenzoyl)oxy]-5,7-dihydroxy-2H-1-benzopyran]-4β-yl]-2H-1-benzopyran]-3α-yl ester
  • (2R,2′R)-2α-(3,4,5-Trihydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3α,3′α-bis(galloyloxy)-4β,8′-bichroman-5,5′,7,7′-tetrol
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