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9-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-XYLOFURANOSYL]-6-N-BENZOYLADENINE
SpectraBase Compound ID F6PeArQMhLG
InChI InChI=1S/C48H43N5O10/c1-31(54)62-40-41(55)47(27-60-46(57)33-15-9-5-10-16-33,63-45(40)53-30-51-39-42(49-29-50-43(39)53)52-44(56)32-13-7-4-8-14-32)28-61-48(34-17-11-6-12-18-34,35-19-23-37(58-2)24-20-35)36-21-25-38(59-3)26-22-36/h4-26,29-30,40-41,45,55H,27-28H2,1-3H3,(H,49,50,52,56)/t40-,41-,45-,47-/m0/s1
InChIKey NPRBMAUNVHQPCT-BTNGTYIYSA-N
Mol Weight 849.9 g/mol
Molecular Formula C48H43N5O10
Exact Mass 849.300993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5zUVkJJsCc
Name 9-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-XYLOFURANOSYL]-6-N-BENZOYLADENINE
Compound Number 50B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H43N5O10
InChI InChI=1S/C48H43N5O10/c1-31(54)62-40-41(55)47(27-60-46(57)33-15-9-5-10-16-33,63-45(40)53-30-51-39-42(49-29-50-43(39)53)52-44(56)32-13-7-4-8-14-32)28-61-48(34-17-11-6-12-18-34,35-19-23-37(58-2)24-20-35)36-21-25-38(59-3)26-22-36/h4-26,29-30,40-41,45,55H,27-28H2,1-3H3,(H,49,50,52,56)/t40-,41-,45-,47-/m0/s1
InChIKey NPRBMAUNVHQPCT-BTNGTYIYSA-N
Literature Reference Author B.R.BABU,RAUNAK,N.E.POOPEIKO,M.JUHL,A.D.BOND,V.S.PARMAR,J.WE NGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2297(2005)
Literature Reference DOI 10.1002/ejoc.200500023
Molecular Weight 849.897 g/mol
Sample ID 39337
Solvent CDCl3