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3,4,6-Tri-O-pivaloyl-d-glucopyranose

View entire compound with spectra: 2 NMR

3,4,6-Tri-O-pivaloyl-d-glucopyranose
SpectraBase Compound ID 3fQPsxKBogh
InChI InChI=1S/C21H36O9/c1-19(2,3)16(24)27-10-11-13(29-17(25)20(4,5)6)14(12(22)15(23)28-11)30-18(26)21(7,8)9/h11-15,22-23H,10H2,1-9H3/t11-,12-,13+,14+,15?/m0/s1
InChIKey CNPFADNEFKBBIY-UUWGUWTESA-N
Mol Weight 432.5 g/mol
Molecular Formula C21H36O9
Exact Mass 432.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7O7ypAo8hoK
Name 3,4,6-tri-o-Pivaloyl-D-glucopyranose
Comments Computed using HOSE algorithm
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Exact Mass 432.235932730 u
Formula C21H36O9
InChI InChI=1S/C21H36O9/c1-19(2,3)16(24)27-10-11-13(29-17(25)20(4,5)6)14(12(22)15(23)28-11)30-18(26)21(7,8)9/h11-15,22-23H,10H2,1-9H3/t11-,12-,13+,14+,15?/m0/s1
InChIKey CNPFADNEFKBBIY-UUWGUWTESA-N
Molecular Weight 432.510 g/mol
SMILES O[C@]1([C@]([C@@]([C@@](OC1O)(COC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(=O)C(C)(C)C)[H])[H]