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N-(2)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-[(N,N-DIISOPROPYLAMINO)-(4-METHYLTHIO-1-BUTYLOXY)]-PHOSPHINYL-2'-DEOXYGUANOSINE
SpectraBase Compound ID 4yIU1CttbYX
InChI InChI=1S/2C46H61N6O8PS/c2*1-30(2)43(53)49-45-48-42-41(44(54)50-45)47-29-51(42)40-27-38(60-61(52(31(3)4)32(5)6)58-25-13-14-26-62-9)39(59-40)28-57-46(33-15-11-10-12-16-33,34-17-21-36(55-7)22-18-34)35-19-23-37(56-8)24-20-35/h2*10-12,15-24,29-32,38-40H,13-14,25-28H2,1-9H3,(H2,48,49,50,53,54)/t2*38-,39+,40+,61?/m11/s1
InChIKey HBVFTMLAEJFGDU-UKHHHPKKSA-N
Mol Weight 1778.1 g/mol
Molecular Formula C92H122N12O16P2S2
Exact Mass 1776.801842 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5MUKbVgPan
Name N-(2)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-[(N,N-DIISOPROPYLAMINO)-(4-METHYLTHIO-1-BUTYLOXY)]-PHOSPHINYL-2'-DEOXYGUANOSINE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C92H122N12O16P2S2
InChI InChI=1S/2C46H61N6O8PS/c2*1-30(2)43(53)49-45-48-42-41(44(54)50-45)47-29-51(42)40-27-38(60-61(52(31(3)4)32(5)6)58-25-13-14-26-62-9)39(59-40)28-57-46(33-15-11-10-12-16-33,34-17-21-36(55-7)22-18-34)35-19-23-37(56-8)24-20-35/h2*10-12,15-24,29-32,38-40H,13-14,25-28H2,1-9H3,(H2,48,49,50,53,54)/t2*38-,39+,40+,61?/m11/s1
InChIKey HBVFTMLAEJFGDU-UKHHHPKKSA-N
Literature Reference Author J.CIESLAK,A.GRAJKOWSKI,V.LIVENGOOD,S.BEAUCAGE
Literature Reference Citation J.ORG.CHEM.,69,2509(2004)
Literature Reference DOI 10.1021/jo035861f
Solvent CDCl3
Source File Reference UWVN21450