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2-(BENZYLAMINO)-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE-HYDRATE
SpectraBase Compound ID 667HtA2QW5u
InChI InChI=1S/C23H27N5O9/c1-12(29)35-16-11-34-21(19(37-14(3)31)18(16)36-13(2)30)25-20-17(27-33)22(32)28(4)23(26-20)24-10-15-8-6-5-7-9-15/h5-9,16,18-19,21,25H,10-11H2,1-4H3,(H,24,26)/t16-,18+,19-,21-/m1/s1
InChIKey AYHXGRCDXNVITL-WQZMEWCLSA-N
Mol Weight 517.5 g/mol
Molecular Formula C23H27N5O9
Exact Mass 517.180877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JntNL7T9m7D
Name 2-(BENZYLAMINO)-3-METHYL-5-NITROSO-6-[(TRI-O-ACETYL)-BETA-D-XYLOPYRANOSYL]-AMINOPYRIMIDIN-4(3H)-ONE-HYDRATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N5O9
InChI InChI=1S/C23H27N5O9/c1-12(29)35-16-11-34-21(19(37-14(3)31)18(16)36-13(2)30)25-20-17(27-33)22(32)28(4)23(26-20)24-10-15-8-6-5-7-9-15/h5-9,16,18-19,21,25H,10-11H2,1-4H3,(H,24,26)/t16-,18+,19-,21-/m1/s1
InChIKey AYHXGRCDXNVITL-WQZMEWCLSA-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 517.495 g/mol
Solvent CDCl3
Source File Reference UWSI8516