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Methyl-3,4,6-tri-o-acetyl-2-deoxy-2-ethyloxycarbonylmethyleneureido-beta-D-glucopyranoside

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Methyl-3,4,6-tri-o-acetyl-2-deoxy-2-ethyloxycarbonylmethyleneureido-beta-D-glucopyranoside
SpectraBase Compound ID 7BR8S7m7DfW
InChI InChI=1S/C18H28N2O11/c1-6-27-13(24)7-19-18(25)20-14-16(30-11(4)23)15(29-10(3)22)12(8-28-9(2)21)31-17(14)26-5/h12,14-17H,6-8H2,1-5H3,(H2,19,20,25)/t12-,14-,15-,16-,17-/m0/s1
InChIKey LNWBZPHRJXXRDT-SRQBIAJPSA-N
Mol Weight 448.43 g/mol
Molecular Formula C18H28N2O11
Exact Mass 448.16931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IR94AF5vH6N
Name Methyl-3,4,6-tri-o-acetyl-2-deoxy-2-ethyloxycarbonylmethyleneureido-beta-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.169309719 u
Formula C18H28N2O11
InChI InChI=1S/C18H28N2O11/c1-6-27-13(24)7-19-18(25)20-14-16(30-11(4)23)15(29-10(3)22)12(8-28-9(2)21)31-17(14)26-5/h12,14-17H,6-8H2,1-5H3,(H2,19,20,25)/t12-,14-,15-,16-,17-/m0/s1
InChIKey LNWBZPHRJXXRDT-SRQBIAJPSA-N
Molecular Weight 448.425 g/mol
SMILES CO[C@@]1([C@]([C@@]([C@]([C@@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(NC(=O)NCC(=O)OCC)[H])[H]