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Glucosamine, 1,3-benzyl-N-benzoyl-

View entire compound with spectra: 1 NMR

Glucosamine, 1,3-benzyl-N-benzoyl-
SpectraBase Compound ID ILnmxvdulQK
InChI InChI=1S/C27H29NO6/c29-16-22(30)24-25(32-17-19-10-4-1-5-11-19)23(28-26(31)21-14-8-3-9-15-21)27(34-24)33-18-20-12-6-2-7-13-20/h1-15,22-25,27,29-30H,16-18H2,(H,28,31)/t22?,23-,24-,25-,27-/m1/s1
InChIKey XMFSEEDKXVTPQX-YTMKARSQSA-N
Mol Weight 463.53 g/mol
Molecular Formula C27H29NO6
Exact Mass 463.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DliRp13S9zu
Name Glucosamine, 1,3-benzyl-N-benzoyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.199487652 u
Formula C27H29NO6
InChI InChI=1S/C27H29NO6/c29-16-22(30)24-25(32-17-19-10-4-1-5-11-19)23(28-26(31)21-14-8-3-9-15-21)27(34-24)33-18-20-12-6-2-7-13-20/h1-15,22-25,27,29-30H,16-18H2,(H,28,31)/t22?,23-,24-,25-,27-/m1/s1
InChIKey XMFSEEDKXVTPQX-YTMKARSQSA-N
Molecular Weight 463.530 g/mol
SMILES [C@@]1([C@]([C@@](C(CO)O)(O[C@]1(OCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])(NC(=O)C=1C=CC=CC1)[H]