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.alpha.-D-Glucopyranosiduronic acid, 3-(5-ethylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-1,1-dimethylpropyl 2,3,4-tris-o-(trimethylsilyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

.alpha.-D-Glucopyranosiduronic acid, 3-(5-ethylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-1,1-dimethylpropyl 2,3,4-tris-o-(trimethylsilyl)-, methyl ester
SpectraBase Compound ID AKnQ7wd53vG
InChI InChI=1S/C27H52N2O10Si3/c1-14-27(23(31)28-25(33)29-24(27)32)16-15-26(2,3)36-22-20(39-42(11,12)13)18(38-41(8,9)10)17(37-40(5,6)7)19(35-22)21(30)34-4/h17-20,22H,14-16H2,1-13H3,(H2,28,29,31,32,33)
InChIKey BCATYCVSLYNDPX-UHFFFAOYSA-N
Mol Weight 649.0 g/mol
Molecular Formula C27H52N2O10Si3
Exact Mass 648.292975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VhCDlaYBuc
Name .alpha.-D-Glucopyranosiduronic acid, 3-(5-ethylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-1,1-dimethylpropyl 2,3,4-tris-o-(trimethylsilyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 648.292975477 u
Formula C27H52N2O10Si3
InChI InChI=1S/C27H52N2O10Si3/c1-14-27(23(31)28-25(33)29-24(27)32)16-15-26(2,3)36-22-20(39-42(11,12)13)18(38-41(8,9)10)17(37-40(5,6)7)19(35-22)21(30)34-4/h17-20,22H,14-16H2,1-13H3,(H2,28,29,31,32,33)
InChIKey BCATYCVSLYNDPX-UHFFFAOYSA-N
Molecular Weight 648.972 g/mol
SMILES [C@@]1(O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](C(OC)=O)(O[C@@]([C@@]1(O[Si](C)(C)C)[H])(OC(CCC1(CC)C(=O)NC(NC1=O)=O)(C)C)[H])[H])[H])[H]