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1-[2-O-ACETYL-3,5-DI-O-BENZOYL-4-C-(N-METHYLPIPERAZINYL)-METHYL-BETA-D-XYLOFURANOSYL]-THYMINE
SpectraBase Compound ID LqGe2lBj8Qm
InChI InChI=1S/C32H36N4O8/c1-22-18-36(21-33-28(22)38)29-26(42-23(2)37)27(43-31(40)25-12-8-5-9-13-25)32(44-29,19-35-16-14-34(3)15-17-35)20-41-30(39)24-10-6-4-7-11-24/h4-13,18,21,26-27,29H,14-17,19-20H2,1-3H3/t26-,27-,29-,32-/m0/s1
InChIKey QWLNULHRCYOKTL-GKDWDKOASA-N
Mol Weight 604.7 g/mol
Molecular Formula C32H36N4O8
Exact Mass 604.253314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wUeSvkOggJ
Name 1-[2-O-ACETYL-3,5-DI-O-BENZOYL-4-C-(N-METHYLPIPERAZINYL)-METHYL-BETA-D-XYLOFURANOSYL]-THYMINE
Compound Number 57 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36N4O8
InChI InChI=1S/C32H36N4O8/c1-22-18-36(21-33-28(22)38)29-26(42-23(2)37)27(43-31(40)25-12-8-5-9-13-25)32(44-29,19-35-16-14-34(3)15-17-35)20-41-30(39)24-10-6-4-7-11-24/h4-13,18,21,26-27,29H,14-17,19-20H2,1-3H3/t26-,27-,29-,32-/m0/s1
InChIKey QWLNULHRCYOKTL-GKDWDKOASA-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 604.660 g/mol
Sample ID 39344
Solvent CDCl3