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N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]nicotinamide
SpectraBase Compound ID DgZyutKz5xV
InChI InChI=1S/C22H32N4O11/c1-9(29)24-14-18(33)19(13(8-28)35-21(14)26-20(34)11-4-3-5-23-6-11)37-22-15(25-10(2)30)17(32)16(31)12(7-27)36-22/h3-6,12-19,21-22,27-28,31-33H,7-8H2,1-2H3,(H,24,29)(H,25,30)(H,26,34)/t12-,13-,14-,15-,16-,17-,18-,19-,21-,22+/m1/s1
InChIKey FWTGFQZKKQRICV-OOXXTVJRSA-N
Mol Weight 528.5 g/mol
Molecular Formula C22H32N4O11
Exact Mass 528.206758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YbX0cFB4h2
Name N-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]nicotinamide
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N4O11
InChI InChI=1S/C22H32N4O11/c1-9(29)24-14-18(33)19(13(8-28)35-21(14)26-20(34)11-4-3-5-23-6-11)37-22-15(25-10(2)30)17(32)16(31)12(7-27)36-22/h3-6,12-19,21-22,27-28,31-33H,7-8H2,1-2H3,(H,24,29)(H,25,30)(H,26,34)/t12-,13-,14-,15-,16-,17-,18-,19-,21-,22+/m1/s1
InChIKey FWTGFQZKKQRICV-OOXXTVJRSA-N
Literature Reference Author A.GERMER,M.G.PETER,E.KLEINPETER
Literature Reference Citation J.ORG.CHEM.,67,6328(2002)
Literature Reference DOI 10.1021/jo0163703
Molecular Weight 528.516 g/mol
Solvent Unknown
Source File Reference UWSI21884