Chem
J-GLOBAL ID:200907055159176427   Nikkaji number:J1.816.886C

1-[(1β,8α)-3,3,5,5-Tetraisopropyl-2,4,6-trioxa-3,5-disila-11α-[(2,4-dimethoxybenzoyl)oxy]-9-thiabicyclo[6.3.0]undecane-10β-yl]-N-benzoylcytosine

1-[(1β,8α)-3,3,5,5-テトライソプロピル-2,4,6-トリオキサ-3,5-ジシラ-11α-[(2,4-ジメトキシベンゾイル)オキシ]-9-チアビシクロ[6.3.0]ウンデカン-10β-イル]-N-ベンゾイルシトシン
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: C37H51N3O9SSi2
Molecular formula furigana: C37-H51-N3-O9-S-SI2
Molecular weight: 770.060
InChI: InChI=1S/C37H51N3O9SSi2/c1-22(2)51(23(3)4)46-21-30-32(48-52(49-51,24(5)6)25(7)8)33(47-36(42)28-17-16-27(44-9)20-29(28)45-10)35(50-30)40-19-18-31(39-37(40)43)38-34(41)26-14-12-11-13-15-26/h11-20,22-25,30,32-33,35H,21H2,1-10H3,(H,38,39,41,43)/t30-,32-,33-,35-/m1/s1
InChI key: PFBPHIWTSHAKMU-NHASGABXSA-N
SMILES: COc1ccc(C(=O)O[C@@H]2[C@@H]3O[Si](O[Si](OC[C@H]3S[C@H]2n2ccc(NC(=O)c3ccccc3)nc2=O)(C(C)C)C(C)C)(C(C)C)C(C)C)c(OC)c1
Systematic name  (3):
  • 1-[(1β,8α)-3,3,5,5-テトライソプロピル-2,4,6-トリオキサ-3,5-ジシラ-11α-[(2,4-ジメトキシベンゾイル)オキシ]-9-チアビシクロ[6.3.0]ウンデカン-10β-イル]-N-ベンゾイルシトシン
  • (6aR,8R,9R,9aS)-8-(4-ベンズアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-2,2,4,4-テトラキス(プロパン-2-イル)-ヘキサヒドロ-2H-チエノ[3,2-f][1,3,5,2,4]トリオキサジシロシン-9-イル 2,4-ジメトキシベンゾアート
  • (6aR,8R,9R,9aS)-8-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2,2,4,4-tetrakis(propan-2-yl)-hexahydro-2H-thieno[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl 2,4-dimethoxybenzoate
Other name (1):
  • 1-[(1β,8α)-3,3,5,5-Tetraisopropyl-2,4,6-trioxa-3,5-disila-11α-[(2,4-dimethoxybenzoyl)oxy]-9-thiabicyclo[6.3.0]undecane-10β-yl]-N-benzoylcytosine
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