Chem
J-GLOBAL ID:200907037417716999   Nikkaji number:J631.562C

1-[(1α,5α)-8α-Hydroxymethyl-3-oxo-4α-benzyl-2,7-dioxabicyclo[3.3.0]octan-6α-yl]uracil

1-[(1α,5α)-8α-ヒドロキシメチル-3-オキソ-4α-ベンジル-2,7-ジオキサビシクロ[3.3.0]オクタン-6α-イル]ウラシル
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: C18H18N2O6
Molecular formula furigana: C18-H18-N2-O6
Molecular weight: 358.350
InChI: InChI=1S/C18H18N2O6/c21-9-12-15-14(16(25-12)20-7-6-13(22)19-18(20)24)11(17(23)26-15)8-10-4-2-1-3-5-10/h1-7,11-12,14-16,21H,8-9H2,(H,19,22,24)/t11-,12-,14-,15-,16-/m1/s1
InChI key: YXJLSFOPDKAFQZ-CCECPURYSA-N
SMILES: OC[C@H]1O[C@H]([C@@H]2[C@@H](Cc3ccccc3)C(=O)O[C@H]12)n1ccc(=O)[nH]c1=O
Systematic name  (3):
  • 1-[(1α,5α)-8α-ヒドロキシメチル-3-オキソ-4α-ベンジル-2,7-ジオキサビシクロ[3.3.0]オクタン-6α-イル]ウラシル
  • 1-[(3R,3aR,4R,6R,6aS)-3-ベンジル-6-(ヒドロキシメチル)-2-オキソ-ヘキサヒドロフロ[3,4-b]フラン-4-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(3R,3aR,4R,6R,6aS)-3-benzyl-6-(hydroxymethyl)-2-oxo-hexahydrofuro[3,4-b]furan-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 1-[(1α,5α)-8α-Hydroxymethyl-3-oxo-4α-benzyl-2,7-dioxabicyclo[3.3.0]octan-6α-yl]uracil
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