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9-[1',3'-O-ANHYDRO-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-N-(2)-[N,N-(DIMETHYLAMINO)-METHYLENE]-GUANINE
SpectraBase Compound ID 3hhzhHPZHJd
InChI InChI=1S/C35H36N6O7/c1-40(2)20-37-33-38-31-28(32(43)39-33)36-21-41(31)34-19-46-30(34)29(42)27(48-34)18-47-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27,29-30,42H,18-19H2,1-4H3,(H,38,39,43)/b37-20+/t27-,29-,30-,34-/m1/s1
InChIKey POZKAPWAIPQEIK-HCNHETPASA-N
Mol Weight 652.7 g/mol
Molecular Formula C35H36N6O7
Exact Mass 652.264548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9r8us9DnEK
Name 9-[1',3'-O-ANHYDRO-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-N-(2)-[N,N-(DIMETHYLAMINO)-METHYLENE]-GUANINE
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36N6O7
InChI InChI=1S/C35H36N6O7/c1-40(2)20-37-33-38-31-28(32(43)39-33)36-21-41(31)34-19-46-30(34)29(42)27(48-34)18-47-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27,29-30,42H,18-19H2,1-4H3,(H,38,39,43)/b37-20+/t27-,29-,30-,34-/m1/s1
InChIKey POZKAPWAIPQEIK-HCNHETPASA-N
Literature Reference Author P.I.PRADEEPKUMAR,P.CHERUKU,O.PLASHKEVYCH,P.ACHARYA,S.GOHIL,J .CHATTOPADHYAYA
Literature Reference Citation J.AM.CHEM.SOC.,126,11484(2004)
Literature Reference DOI 10.1021/ja048417i
Molecular Weight 652.707 g/mol
Solvent CDCl3
Source File Reference UWVN31648