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2-Acetamido-1-o-benzoyl-3,4,6-tri-o-acetyl-2-deoxy-D-mannopyranose

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2-Acetamido-1-o-benzoyl-3,4,6-tri-o-acetyl-2-deoxy-D-mannopyranose
SpectraBase Compound ID 2MNXLooXcle
InChI InChI=1S/C21H25NO10/c1-11(23)22-17-19(30-14(4)26)18(29-13(3)25)16(10-28-12(2)24)31-21(17)32-20(27)15-8-6-5-7-9-15/h5-9,16-19,21H,10H2,1-4H3,(H,22,23)/t16-,17+,18-,19-,21?/m1/s1
InChIKey DLKRIXVLJJCBNV-NKSMOILXSA-N
Mol Weight 451.43 g/mol
Molecular Formula C21H25NO10
Exact Mass 451.147846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yDldI7H31w
Name 2-Acetamido-1-o-benzoyl-3,4,6-tri-o-acetyl-2-deoxy-D-mannopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.147845999 u
Formula C21H25NO10
InChI InChI=1S/C21H25NO10/c1-11(23)22-17-19(30-14(4)26)18(29-13(3)25)16(10-28-12(2)24)31-21(17)32-20(27)15-8-6-5-7-9-15/h5-9,16-19,21H,10H2,1-4H3,(H,22,23)/t16-,17+,18-,19-,21?/m1/s1
InChIKey DLKRIXVLJJCBNV-NKSMOILXSA-N
Molecular Weight 451.428 g/mol
SMILES [C@@]1([C@](OC([C@]([C@]1(OC(C)=O)[H])(NC(C)=O)[H])OC(=O)C1=CC=CC=C1)(COC(C)=O)[H])(OC(C)=O)[H]