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3'-O-ACETYL-5'-O-(4,4'-DIMETHOXYTRITYL)-6-O-[(2,4,6-TRIISOPROPYL-PHENYL)-SULFONYL]-2'-DEOXYGUANOSINE
SpectraBase Compound ID KJQgPLRCKHe
InChI InChI=1S/C48H55N5O9S/c1-28(2)32-23-38(29(3)4)44(39(24-32)30(5)6)63(55,56)62-46-43-45(51-47(49)52-46)53(27-50-43)42-25-40(60-31(7)54)41(61-42)26-59-48(33-13-11-10-12-14-33,34-15-19-36(57-8)20-16-34)35-17-21-37(58-9)22-18-35/h10-24,27-30,40-42H,25-26H2,1-9H3,(H2,49,51,52)/t40-,41+,42+/m0/s1
InChIKey RRQYETQRODANCU-FEWNNGCESA-N
Mol Weight 878.1 g/mol
Molecular Formula C48H55N5O9S
Exact Mass 877.37205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSoLJ3Cv1Sm
Name 3'-O-ACETYL-5'-O-(4,4'-DIMETHOXYTRITYL)-6-O-[(2,4,6-TRIISOPROPYL-PHENYL)-SULFONYL]-2'-DEOXYGUANOSINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H55N5O9S
InChI InChI=1S/C48H55N5O9S/c1-28(2)32-23-38(29(3)4)44(39(24-32)30(5)6)63(55,56)62-46-43-45(51-47(49)52-46)53(27-50-43)42-25-40(60-31(7)54)41(61-42)26-59-48(33-13-11-10-12-14-33,34-15-19-36(57-8)20-16-34)35-17-21-37(58-9)22-18-35/h10-24,27-30,40-42H,25-26H2,1-9H3,(H2,49,51,52)/t40-,41+,42+/m0/s1
InChIKey RRQYETQRODANCU-FEWNNGCESA-N
Literature Reference Author H.C.P.F.ROELEN,H.F.BRUGGHE,H.VANDENELST,J.C.KLEIN,G.A.VANDER MAREL,J.H.VANBOOM
Literature Reference Citation REC.TR.CH.P.-B.,111,227(1992)
Literature Reference DOI 10.1002/recl.19921110505
Molecular Weight 878.053 g/mol
Solvent CDCl3
Source File Reference UWRK1767