Chem
J-GLOBAL ID：200907049095570800
Nikkaji number：J1.664.826D
7-(Galloyloxy)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3β,5-diol
7-(ガロイルオキシ)-3,4-ジヒドロ-2α-(3,4-ジヒドロキシフェニル)-2H-1-ベンゾピラン-3β,5-ジオール
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
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
Molecular formula： C22H18O10
Molecular formula furigana： C22-H18-O10
Molecular weight： 442.376
InChI：
InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2/t18-,21+/m0/s1
InChI key：
WKIHBIBUCQPPBY-GHTZIAJQSA-N
SMILES：
O[C@H]1Cc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O[C@@H]1c1ccc(O)c(O)c1
Systematic name (4)：
- (2R,3S)-2-(3,4-ジヒドロキシフェニル)クロマン-3,5,7-トリオール7-(3,4,5-トリヒドロキシベンゾアート)
- 7-(ガロイルオキシ)-3,4-ジヒドロ-2α-(3,4-ジヒドロキシフェニル)-2H-1-ベンゾピラン-3β,5-ジオール
- (2R,3S)-2-(3,4-ジヒドロキシフェニル)-3,5-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-7-イル 3,4,5-トリヒドロキシベンゾアート
- (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate
- (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol 7-(3,4,5-trihydroxybenzoate)
- 7-(Galloyloxy)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3β,5-diol
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