Chem
J-GLOBAL ID：200907075074552552   Nikkaji number：J2.397.155K

2-(2,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-8-[2-(4-hydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-1-benzopyrylium

2-(2,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5,7-ジヒドロキシ-8-[2-(4-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-4-イル]-1-ベンゾピリリウム
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： C36H33O15[O+]
Molecular formula furigana： C36-H33-O16
Molecular weight： 721.643
InChI： InChI=1S/C36H32O16/c37-12-25-29(45)31(47)32(48)36(51-25)50-24-10-18-20(42)11-22(44)27(35(18)52-34(24)17-6-5-15(39)7-19(17)41)28-26-21(43)8-16(40)9-23(26)49-33(30(28)46)13-1-3-14(38)4-2-13/h1-11,25,28-33,36-37,45-48H,12H2,(H6-,38,39,40,41,42,43,44)/p+1/t25-,28?,29-,30?,31+,32-,33?,36-/m1/s1
InChI key： KJSQFTIRNNNTGO-RCURFFFTSA-O
SMILES： OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)c(C4C(O)C(Oc5cc(O)cc(O)c45)c4ccc(O)cc4)c3[o+]c2c2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(2,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-5,7-ジヒドロキシ-8-[2-(4-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-4-イル]-1-ベンゾピリリウム
  • 2-(2,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-8-[3,5,7-トリヒドロキシ-2-(4-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-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (1)：
  • 2-(2,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-8-[2-(4-hydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-1-benzopyrylium
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM