For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-NITROPHENYL-2,3,4,TRI-O-BENZOYL-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 6NzoXjhFzOK
InChI InChI=1S/C53H54N2O23/c1-29(56)54-42-39(70-31(3)58)26-53(52(64)67-6,78-45(42)43(72-33(5)60)40(71-32(4)59)27-68-30(2)57)69-28-41-44(75-48(61)34-16-10-7-11-17-34)46(76-49(62)35-18-12-8-13-19-35)47(77-50(63)36-20-14-9-15-21-36)51(74-41)73-38-24-22-37(23-25-38)55(65)66/h7-25,39-47,51H,26-28H2,1-6H3,(H,54,56)/t39-,40+,41+,42+,43+,44-,45+,46-,47+,51+,53+/m0/s1
InChIKey VNGOSTDXGVHXHS-HZQYEEBLSA-N
Mol Weight 1087.0 g/mol
Molecular Formula C53H54N2O23
Exact Mass 1086.311736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LWt7c84ecXS
Name 4-NITROPHENYL-2,3,4,TRI-O-BENZOYL-6-O-(METHYL-4,7,8,9-TETRA-O-ACETYL-N-ACETYL-ALPHA-D-NEURAMINATE-2-YL)-BETA-D-GALACTOPYRANOSIDE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H54N2O23
InChI InChI=1S/C53H54N2O23/c1-29(56)54-42-39(70-31(3)58)26-53(52(64)67-6,78-45(42)43(72-33(5)60)40(71-32(4)59)27-68-30(2)57)69-28-41-44(75-48(61)34-16-10-7-11-17-34)46(76-49(62)35-18-12-8-13-19-35)47(77-50(63)36-20-14-9-15-21-36)51(74-41)73-38-24-22-37(23-25-38)55(65)66/h7-25,39-47,51H,26-28H2,1-6H3,(H,54,56)/t39-,40+,41+,42+,43+,44-,45+,46-,47+,51+,53+/m0/s1
InChIKey VNGOSTDXGVHXHS-HZQYEEBLSA-N
Literature Reference Author L.A.J.M.SLIEDREGT,S.M.W.V.ROSSENBERG,R.AUTAR,A.R.P.M.VALENTI JN,G.A.V.D.MAREL,
Literature Reference Citation BIOORG.MED.CHEM.,9,85(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00224-8
Molecular Weight 1087.011 g/mol
Solvent CDCl3
Source File Reference UWLU21717