Chem
J-GLOBAL ID：200907069440549756   Nikkaji number：J1.515.569H

3,4,5-Trihydroxybenzoic acid (2R)-2α-(3,4-dihydroxyphenyl)-4β-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3α-yl ester

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)-4β-(2,4,6-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-3α-イル
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： C28H22O11
Molecular formula furigana： C28-H22-O11
Molecular weight： 534.473
InChI： InChI=1S/C28H22O11/c29-14-10-18(32)24(19(33)11-14)23-15-3-1-2-4-22(15)38-26(12-5-6-16(30)17(31)7-12)27(23)39-28(37)13-8-20(34)25(36)21(35)9-13/h1-11,23,26-27,29-36H/t23-,26-,27-/m1/s1
InChI key： PIZZTBXUPRCFLU-XSBVVTFOSA-N
SMILES： Oc1cc(O)c([C@@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc3ccccc23)c2ccc(O)c(O)c2)c(O)c1
Systematic name  (3)：
  • 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)-4β-(2,4,6-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-3α-イル
  • (2R,3R,4R)-2-(3,4-ジヒドロキシフェニル)-4-(2,4,6-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)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (1)：
  • 3,4,5-Trihydroxybenzoic acid (2R)-2α-(3,4-dihydroxyphenyl)-4β-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3α-yl ester
Thsaurus map：
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