Chem
J-GLOBAL ID：201907001477356030   Nikkaji number：J3.737.146G

[(3aR,4R,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-dimethyl-6-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate

[(3aR,4R,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジメチル-6-(5-メチル-2,4-ジオキソ-3H-ピリミジン-1-イル)-ジヒドロ-3aH-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
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： C28H28N2O9
Molecular formula furigana： C28-H28-N2-O9
Molecular weight： 536.537
InChI： InChI=1S/C28H28N2O9/c1-17-14-30(26(34)29-23(17)31)28(16-36-25(33)19-12-8-5-9-13-19)22-21(38-27(2,3)39-22)20(37-28)15-35-24(32)18-10-6-4-7-11-18/h4-14,20-22H,15-16H2,1-3H3,(H,29,31,34)/t20-,21-,22-,28-/m1/s1
InChI key： UUUIYLNBTWWMJK-SOLZYKTISA-N
SMILES： O1C(O[C@@H]2[C@H](O[C@]([C@H]12)(n1c(=O)[nH]c(=O)c(c1)C)COC(=O)c1ccccc1)COC(=O)c1ccccc1)(C)C
Systematic name  (3)：
  • (3aR,4R,6R,6aR)-4-[(ベンゾイルオキシ)メチル]-6-[(ベンゾイルオキシ)メチル]-4-(2,4-ジオキソ-5-メチル-1,2,3,4-テトラヒドロピリミジン-1-イル)-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール
  • [(3aR,4R,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジメチル-6-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
  • [(3aR,4R,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-dimethyl-6-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (2)：
  • [(3aR,4R,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジメチル-6-(5-メチル-2,4-ジオキソ-3H-ピリミジン-1-イル)-ジヒドロ-3aH-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
  • [(3aR,4R,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-dimethyl-6-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
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