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PARA-NITROPHENYL 2,3,4-TRI-O-BENZOYL-6-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLPHOSPHONO)-ALPHA-D-MANNOPYRANOSIDE,TRIETHYLAMMONIUM SALT
SpectraBase Compound ID g1MbsGIiXT
InChI InChI=1S/C62H53N2O22P.C6H15N/c1-38(65)63-49-52(83-58(69)42-26-14-5-15-27-42)50(81-56(67)40-22-10-3-11-23-40)47(36-76-55(66)39-20-8-2-9-21-39)79-61(49)86-87(74,75)77-37-48-51(82-57(68)41-24-12-4-13-25-41)53(84-59(70)43-28-16-6-17-29-43)54(85-60(71)44-30-18-7-19-31-44)62(80-48)78-46-34-32-45(33-35-46)64(72)73;1-4-7(5-2)6-3/h2-35,47-54,61-62H,36-37H2,1H3,(H,63,65)(H,74,75);4-6H2,1-3H3/t47-,48-,49-,50-,51-,52-,53+,54+,61-,62+;/m1./s1
InChIKey FKIKRUXEQVHSBL-LIGIFBHGSA-N
Mol Weight 1310.3 g/mol
Molecular Formula C68H68N3O22P
Exact Mass 1309.403208 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyXJClxavfZ
Name PARA-NITROPHENYL 2,3,4-TRI-O-BENZOYL-6-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLPHOSPHONO)-ALPHA-D-MANNOPYRANOSIDE,TRIETHYLAMMONIUM SALT
Comments , ;VXR-400 (VARIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C68H68N3O22P
InChI InChI=1S/C62H53N2O22P.C6H15N/c1-38(65)63-49-52(83-58(69)42-26-14-5-15-27-42)50(81-56(67)40-22-10-3-11-23-40)47(36-76-55(66)39-20-8-2-9-21-39)79-61(49)86-87(74,75)77-37-48-51(82-57(68)41-24-12-4-13-25-41)53(84-59(70)43-28-16-6-17-29-43)54(85-60(71)44-30-18-7-19-31-44)62(80-48)78-46-34-32-45(33-35-46)64(72)73;1-4-7(5-2)6-3/h2-35,47-54,61-62H,36-37H2,1H3,(H,63,65)(H,74,75);4-6H2,1-3H3/t47-,48-,49-,50-,51-,52-,53+,54+,61-,62+;/m1./s1
InChIKey FKIKRUXEQVHSBL-LIGIFBHGSA-N
Instrument Name SEE COMMENT
Literature Reference G.I.ELISEEVA, I.A.IVANOVA, A.V.NIKOLAEV, V.I.SHIBAEV (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N10, 1401-1411.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d