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9-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-BETA-D-XYLOFURANOSYL]-6-N-BENZOYLADENINE
SpectraBase Compound ID 2y3rdTAOBVy
InChI InChI=1S/C27H25N5O8/c1-16(34)39-20-21(35)27(12-33,13-38-26(37)18-10-6-3-7-11-18)40-25(20)32-15-30-19-22(28-14-29-23(19)32)31-24(36)17-8-4-2-5-9-17/h2-11,14-15,20-21,25,33,35H,12-13H2,1H3,(H,28,29,31,36)/t20-,21-,25-,27+/m0/s1
InChIKey KMWPJJIQMZOYQU-UXJUZMSRSA-N
Mol Weight 547.52 g/mol
Molecular Formula C27H25N5O8
Exact Mass 547.170313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80KUaZKlkMD
Name 9-[2-O-ACETYL-4-C-(BENZOYLOXYMETHYL)-BETA-D-XYLOFURANOSYL]-6-N-BENZOYLADENINE
Compound Number 49B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25N5O8
InChI InChI=1S/C27H25N5O8/c1-16(34)39-20-21(35)27(12-33,13-38-26(37)18-10-6-3-7-11-18)40-25(20)32-15-30-19-22(28-14-29-23(19)32)31-24(36)17-8-4-2-5-9-17/h2-11,14-15,20-21,25,33,35H,12-13H2,1H3,(H,28,29,31,36)/t20-,21-,25-,27+/m0/s1
InChIKey KMWPJJIQMZOYQU-UXJUZMSRSA-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 547.524 g/mol
Sample ID 39335
Solvent CDCl3