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N-Acetyl 3,4,6-o-tribnezyl-1-o-benzoyl-.alpha.-D-galactosamine

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N-Acetyl 3,4,6-o-tribnezyl-1-o-benzoyl-.alpha.-D-galactosamine
SpectraBase Compound ID 13xYd7cE1Rw
InChI InChI=1S/C36H37NO7/c1-26(38)37-32-34(42-24-29-18-10-4-11-19-29)33(41-23-28-16-8-3-9-17-28)31(25-40-22-27-14-6-2-7-15-27)43-36(32)44-35(39)30-20-12-5-13-21-30/h2-21,31-34,36H,22-25H2,1H3,(H,37,38)/t31-,32-,33+,34-,36-/m1/s1
InChIKey PJBQNRKWCVETMP-JXBSHVHLSA-N
Mol Weight 595.7 g/mol
Molecular Formula C36H37NO7
Exact Mass 595.257003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WlENWWzwS4
Name N-Acetyl 3,4,6-o-tribnezyl-1-o-benzoyl-.alpha.-D-galactosamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.257002528 u
Formula C36H37NO7
InChI InChI=1S/C36H37NO7/c1-26(38)37-32-34(42-24-29-18-10-4-11-19-29)33(41-23-28-16-8-3-9-17-28)31(25-40-22-27-14-6-2-7-15-27)43-36(32)44-35(39)30-20-12-5-13-21-30/h2-21,31-34,36H,22-25H2,1H3,(H,37,38)/t31-,32-,33+,34-,36-/m1/s1
InChIKey PJBQNRKWCVETMP-JXBSHVHLSA-N
Molecular Weight 595.692 g/mol
SMILES [C@]1([C@](O[C@@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(NC(=O)C)[H])(OC(=O)C1=CC=CC=C1)[H])(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H]