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N-[4-O-[METHYL-(2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)

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N-[4-O-[METHYL-(2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)
SpectraBase Compound ID 2dmIwAaGmoT
InChI InChI=1S/C28H29FN4O18/c1-11(34)47-18-19(48-12(2)35)21(49-13(3)36)26(51-20(18)24(38)44-4)50-17-7-6-14(8-16(17)33(42)43)10-46-28(41)30-22(25(39)45-5)32-9-15(29)23(37)31-27(32)40/h6-9,18-22,26H,10H2,1-5H3,(H,30,41)(H,31,37,40)/t18-,19-,20-,21+,22?,26+/m1/s1
InChIKey WCORFOIXNAHWFN-PDIKPNAASA-N
Mol Weight 728.55 g/mol
Molecular Formula C28H29FN4O18
Exact Mass 728.146088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INtdYfOMSSm
Name N-[4-O-[METHYL-(2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29FN4O18
InChI InChI=1S/C28H29FN4O18/c1-11(34)47-18-19(48-12(2)35)21(49-13(3)36)26(51-20(18)24(38)44-4)50-17-7-6-14(8-16(17)33(42)43)10-46-28(41)30-22(25(39)45-5)32-9-15(29)23(37)31-27(32)40/h6-9,18-22,26H,10H2,1-5H3,(H,30,41)(H,31,37,40)/t18-,19-,20-,21+,22?,26+/m1/s1
InChIKey WCORFOIXNAHWFN-PDIKPNAASA-N
Literature Reference Author R.MADEC-LOUGERSTAY,J.C.FLORENT,C.MONNERET
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1369(1999)
Literature Reference DOI 10.1039/a808915i
Molecular Weight 728.553 g/mol
Solvent CDCl3
Source File Reference UWRU5673