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#12;(GLYCOLYL-5-ACETAMIDO-3,5-DIDEOXY-8-O-D-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONO)-D-GLYCERO-D-GALACTO-2-NONULOPYRANOSYL]-1,2
SpectraBase Compound ID Jo0YKqH4AjE
InChI InChI=1S/C59H111N2O23P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-77-41-45(78-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)42-81-85(75,76)80-36-35-79-58(56(71)72)37-46(66)51(61-44(4)65)55(83-58)53(70)49(40-63)82-59(57(73)74)38-47(67)50(60-43(3)64)54(84-59)52(69)48(68)39-62/h45-55,62-63,66-70H,5-42H2,1-4H3,(H,60,64)(H,61,65)(H,71,72)(H,73,74)(H,75,76)/p-1/t45?,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,58+,59-/m1/s1
InChIKey DVLTXOXNILAYGM-NZNHWXBVSA-M
Mol Weight 1246.5 g/mol
Molecular Formula C59H110N2O23P
Exact Mass 1245.7237 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABESLdfUIRd
Name #12;(GLYCOLYL-5-ACETAMIDO-3,5-DIDEOXY-8-O-D-(5-ACETAMIDO-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONO)-D-GLYCERO-D-GALACTO-2-NONULOPYRANOSYL]-1,2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H110N2O23P
InChI InChI=1S/C59H111N2O23P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-77-41-45(78-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)42-81-85(75,76)80-36-35-79-58(56(71)72)37-46(66)51(61-44(4)65)55(83-58)53(70)49(40-63)82-59(57(73)74)38-47(67)50(60-43(3)64)54(84-59)52(69)48(68)39-62/h45-55,62-63,66-70H,5-42H2,1-4H3,(H,60,64)(H,61,65)(H,71,72)(H,73,74)(H,75,76)/p-1/t45?,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,58+,59-/m1/s1
InChIKey DVLTXOXNILAYGM-NZNHWXBVSA-M
Literature Reference Author H.YAN,H.J.JENNINGS
Literature Reference Citation CAN.J.CHEM.,84,540(2006)
Literature Reference DOI 10.1139/v06-031
Solvent CDCl3:CD3OD:D2O=1:1;0
Source File Reference UWLU46787