Chem
J-GLOBAL ID：200907032114318050
Nikkaji number：J1.898.712K
2α-Acetylchroman-3α,5,7-triol 3-(3,4,5-trihydroxybenzoate)
2α-アセチルクロマン-3α,5,7-トリオール3-(3,4,5-トリヒドロキシベンゾアート)
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： C18H16O9
Molecular formula furigana： C18-H16-O9
Molecular weight： 376.317
InChI：
InChI=1S/C18H16O9/c1-7(19)17-15(6-10-11(21)4-9(20)5-14(10)26-17)27-18(25)8-2-12(22)16(24)13(23)3-8/h2-5,15,17,20-24H,6H2,1H3/t15-,17-/m1/s1
InChI key：
YAHYMNDHNZTTCH-NVXWUHKLSA-N
SMILES：
CC(=O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name (4)：
- 2α-アセチルクロマン-3α,5,7-トリオール3-(3,4,5-トリヒドロキシベンゾアート)
- 2α-アセチル-3,4-ジヒドロ-3α-(3,4,5-トリヒドロキシベンゾイルオキシ)-2H-1-ベンゾピラン-5,7-ジオール
- (2S,3R)-2-アセチル-5,7-ジヒドロキシ-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
- (2S,3R)-2-acetyl-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
- 2α-Acetylchroman-3α,5,7-triol 3-(3,4,5-trihydroxybenzoate)
- 2α-Acetyl-3,4-dihydro-3α-(3,4,5-trihydroxybenzoyloxy)-2H-1-benzopyran-5,7-diol
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