Chem
J-GLOBAL ID：200907035511441909   Nikkaji number：J1.887.189K

8,8′-Methylenebis[(2R)-2α-(3,4,5-trihydroxyphenyl)chroman-3α,5,7-triol]

8,8′-メチレンビス[(2R)-2α-(3,4,5-トリヒドロキシフェニル)クロマン-3α,5,7-トリオール]
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： C31H28O14
Molecular formula furigana： C31-H28-O14
Molecular weight： 624.551
InChI： InChI=1S/C31H28O14/c32-16-8-18(34)14-6-24(40)28(10-1-20(36)26(42)21(37)2-10)44-30(14)12(16)5-13-17(33)9-19(35)15-7-25(41)29(45-31(13)15)11-3-22(38)27(43)23(39)4-11/h1-4,8-9,24-25,28-29,32-43H,5-7H2/t24-,25-,28-,29-/m1/s1
InChI key： GFRIHLLETCXICC-WPUBFDFZSA-N
SMILES： O[C@@H]1Cc2c(O)cc(O)c(Cc3c(O)cc(O)c4C[C@@H](O)[C@H](Oc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1
Systematic name  (3)：
  • 8,8′-メチレンビス[(2R)-2α-(3,4,5-トリヒドロキシフェニル)クロマン-3α,5,7-トリオール]
  • (2R,3R)-8-{[(2R,3R)-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-8-イル]メチル}-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-3,5,7-トリオール
  • (2R,3R)-8-{[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]methyl}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (1)：
  • 8,8′-Methylenebis[(2R)-2α-(3,4,5-trihydroxyphenyl)chroman-3α,5,7-triol]
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