Chem
J-GLOBAL ID：200907039622512878   Nikkaji number：J1.982.622H

1-[3α,4α-Bis(4-methoxybenzoyloxy)-5β-(4-methoxybenzoyloxymethyl)tetrahydrothiophene-2β-yl]uracil

1-[3α,4α-ビス(4-メトキシベンゾイルオキシ)-5β-(4-メトキシベンゾイルオキシメチル)テトラヒドロチオフェン-2β-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： C33H30N2O11S
Molecular formula furigana： C33-H30-N2-O11-S
Molecular weight： 662.670
InChI： InChI=1S/C33H30N2O11S/c1-41-22-10-4-19(5-11-22)30(37)44-18-25-27(45-31(38)20-6-12-23(42-2)13-7-20)28(29(47-25)35-17-16-26(36)34-33(35)40)46-32(39)21-8-14-24(43-3)15-9-21/h4-17,25,27-29H,18H2,1-3H3,(H,34,36,40)/t25-,27-,28-,29-/m1/s1
InChI key： XHZVOJQMQIFVIM-YXINZVNLSA-N
SMILES： COc1ccc(cc1)C(=O)OC[C@H]1S[C@H]([C@H](OC(=O)c2ccc(OC)cc2)[C@@H]1OC(=O)c1ccc(OC)cc1)n1ccc(=O)[nH]c1=O
Systematic name  (3)：
  • 1-[3α,4α-ビス(4-メトキシベンゾイルオキシ)-5β-(4-メトキシベンゾイルオキシメチル)テトラヒドロチオフェン-2β-イル]ウラシル
  • [(2R,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ビス(4-メトキシベンゾイルオキシ)チオラン-2-イル]メチル 4-メトキシベンゾアート
  • [(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-bis(4-methoxybenzoyloxy)thiolan-2-yl]methyl 4-methoxybenzoate
Other name (1)：
  • 1-[3α,4α-Bis(4-methoxybenzoyloxy)-5β-(4-methoxybenzoyloxymethyl)tetrahydrothiophene-2β-yl]uracil
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