Chem
J-GLOBAL ID:200907003708633827   Nikkaji number:J708.536B

1-(2-O-Acetyl-3,6-anhydro-5-O-benzoyl-β-D-glucofuranosyl)thymine

1-(2-O-アセチル-3,6-アンヒドロ-5-O-ベンゾイル-β-D-グルコフラノシル)チミン
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: C20H20N2O8
Molecular formula furigana: C20-H20-N2-O8
Molecular weight: 416.386
InChI: InChI=1S/C20H20N2O8/c1-10-8-22(20(26)21-17(10)24)18-16(28-11(2)23)15-14(30-18)13(9-27-15)29-19(25)12-6-4-3-5-7-12/h3-8,13-16,18H,9H2,1-2H3,(H,21,24,26)/t13-,14-,15+,16-,18-/m1/s1
InChI key: GTPPQMFYAAKBIG-XLKGFZLASA-N
SMILES: CC(=O)O[C@@H]1[C@H]2OC[C@@H](OC(=O)c3ccccc3)[C@H]2O[C@H]1n1cc(C)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-(2-O-アセチル-3,6-アンヒドロ-5-O-ベンゾイル-β-D-グルコフラノシル)チミン
  • (3R,3aR,5R,6R,6aS)-6-(アセチルオキシ)-5-(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)-ヘキサヒドロフロ[3,2-b]フラン-3-イル ベンゾアート
  • (3R,3aR,5R,6R,6aS)-6-(acetyloxy)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-hexahydrofuro[3,2-b]furan-3-yl benzoate
Other name (1):
  • 1-(2-O-Acetyl-3,6-anhydro-5-O-benzoyl-β-D-glucofuranosyl)thymine
Thsaurus map:

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