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2-(BUTYLAMINO)-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE-HEMIHYDRATE
SpectraBase Compound ID Fr4hBSN656A
InChI InChI=1S/C20H29N5O9/c1-6-7-8-21-20-23-17(14(24-30)19(29)25(20)5)22-18-16(34-12(4)28)15(33-11(3)27)13(9-31-18)32-10(2)26/h13,15-16,18,22H,6-9H2,1-5H3,(H,21,23)/t13-,15+,16-,18-/m0/s1
InChIKey CTKNRTIQZGTDDJ-DNMXQMFDSA-N
Mol Weight 483.48 g/mol
Molecular Formula C20H29N5O9
Exact Mass 483.196528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDsMkRU5gsU
Name 2-(BUTYLAMINO)-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE-HEMIHYDRATE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29N5O9
InChI InChI=1S/C20H29N5O9/c1-6-7-8-21-20-23-17(14(24-30)19(29)25(20)5)22-18-16(34-12(4)28)15(33-11(3)27)13(9-31-18)32-10(2)26/h13,15-16,18,22H,6-9H2,1-5H3,(H,21,23)/t13-,15+,16-,18-/m0/s1
InChIKey CTKNRTIQZGTDDJ-DNMXQMFDSA-N
Literature Reference Author M.MELGUIZO,A.MARCHAL,M.NOGUERAS,A.SANCHEZ,J.N.LOW
Literature Reference Citation J.HETCYCL.CHEM.,39,97(2002)
Literature Reference DOI 10.1002/jhet.5570390114
Molecular Weight 483.478 g/mol
Solvent DMSO-D6
Source File Reference UWSI8517