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2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL(METHYL)PHOSPHATE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID 9hiuiy5BaP7
InChI InChI=1S/C30H30NO12P.C6H15N/c1-19(32)31-24-26(42-29(35)22-16-10-5-11-17-22)25(41-28(34)21-14-8-4-9-15-21)23(40-30(24)43-44(36,37)38-2)18-39-27(33)20-12-6-3-7-13-20;1-4-7(5-2)6-3/h3-17,23-26,30H,18H2,1-2H3,(H,31,32)(H,36,37);4-6H2,1-3H3/t23-,24-,25-,26-,30-;/m1./s1
InChIKey OVXQKGSPWVWPOJ-VJXQJSPLSA-N
Mol Weight 728.73 g/mol
Molecular Formula C36H45N2O12P
Exact Mass 728.271012 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jayufvciYy
Name 2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL(METHYL)PHOSPHATE, TRIETHYLAMMONIUM SALT
Comments , WITHOUT 31P-{1H}
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H45N2O12P
InChI InChI=1S/C30H30NO12P.C6H15N/c1-19(32)31-24-26(42-29(35)22-16-10-5-11-17-22)25(41-28(34)21-14-8-4-9-15-21)23(40-30(24)43-44(36,37)38-2)18-39-27(33)20-12-6-3-7-13-20;1-4-7(5-2)6-3/h3-17,23-26,30H,18H2,1-2H3,(H,31,32)(H,36,37);4-6H2,1-3H3/t23-,24-,25-,26-,30-;/m1./s1
InChIKey OVXQKGSPWVWPOJ-VJXQJSPLSA-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 CDCl3 chloroform-d