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1,3,4-tri-o-Benzyl-2-acetamido-2-deoxy-6-fluoro-6-deoxy-alpha-D-glucopyranose

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1,3,4-tri-o-Benzyl-2-acetamido-2-deoxy-6-fluoro-6-deoxy-alpha-D-glucopyranose
SpectraBase Compound ID EGm4CoLcszu
InChI InChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26-,27-,28-,29+/m1/s1
InChIKey CNENJSGJNDRCHS-JPHCZMGXSA-N
Mol Weight 493.6 g/mol
Molecular Formula C29H32FNO5
Exact Mass 493.226451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbnmndbVx4e
Name 1,3,4-tri-o-Benzyl-2-acetamido-2-deoxy-6-fluoro-6-deoxy-alpha-D-glucopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.226451292 u
Formula C29H32FNO5
InChI InChI=1S/C29H32FNO5/c1-21(32)31-26-28(34-19-23-13-7-3-8-14-23)27(33-18-22-11-5-2-6-12-22)25(17-30)36-29(26)35-20-24-15-9-4-10-16-24/h2-16,25-29H,17-20H2,1H3,(H,31,32)/t25-,26-,27-,28-,29+/m1/s1
InChIKey CNENJSGJNDRCHS-JPHCZMGXSA-N
Molecular Weight 493.575 g/mol
SMILES [C@]1(O[C@@]([C@]([C@@]([C@]1(NC(=O)C)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(CF)[H])(OCC1=CC=CC=C1)[H]