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PARA-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZOYL-4-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL-H-PHOSPHORYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID GdNXBsCYkfa
InChI InChI=1S/C57H52N3O20P/c1-34(61)58-45-50(78-55(67)40-26-16-7-17-27-40)48(44(33-72-52(64)37-20-10-4-11-21-37)74-56(45)73-42-30-28-41(29-31-42)60(68)69)79-81(70)80-57-46(59-35(2)62)49(77-54(66)39-24-14-6-15-25-39)47(76-53(65)38-22-12-5-13-23-38)43(75-57)32-71-51(63)36-18-8-3-9-19-36/h3-31,43-50,56-57,81H,32-33H2,1-2H3,(H,58,61)(H,59,62)/t43-,44-,45-,46-,47-,48-,49-,50-,56-,57-/m1/s1
InChIKey NLQNFMHKFNHTQE-GWYNBYQTSA-N
Mol Weight 1130.0 g/mol
Molecular Formula C57H52N3O20P
Exact Mass 1129.288178 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6x4ypOXlPa
Name PARA-NITROPHENYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZOYL-4-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL-H-PHOSPHORYL)-BETA-D-GLUCOPYRANOSIDE
Comments , WITHOUT 31P-{1H}, NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C57H52N3O20P
InChI InChI=1S/C57H52N3O20P/c1-34(61)58-45-50(78-55(67)40-26-16-7-17-27-40)48(44(33-72-52(64)37-20-10-4-11-21-37)74-56(45)73-42-30-28-41(29-31-42)60(68)69)79-81(70)80-57-46(59-35(2)62)49(77-54(66)39-24-14-6-15-25-39)47(76-53(65)38-22-12-5-13-23-38)43(75-57)32-71-51(63)36-18-8-3-9-19-36/h3-31,43-50,56-57,81H,32-33H2,1-2H3,(H,58,61)(H,59,62)/t43-,44-,45-,46-,47-,48-,49-,50-,56-,57-/m1/s1
InChIKey NLQNFMHKFNHTQE-GWYNBYQTSA-N
Instrument Name Bruker AC-200
Literature Reference A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV, A.V.IGNATENKO (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N11, 1550-1561.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine