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#19;MAJOR-ISOMER;6-O-[2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-1-O-[(2-CYANOETHOXY)-(2-O-BENZYLOXYCARNBONYL)-3-O-OCTADECYL-SN-GLYCEROL)-PHOSPHON
SpectraBase Compound ID JMfgfx8kLdz
InChI InChI=1S/C95H133N4O18P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-49-65-104-73-82(113-95(102)110-72-81-61-46-35-47-62-81)74-112-118(103,111-66-50-64-96)117-93-91(115-84(100)63-48-28-26-24-22-20-16-14-12-10-8-6-4-2)89(108-70-79-57-42-33-43-58-79)88(107-69-78-55-40-32-41-56-78)90(109-71-80-59-44-34-45-60-80)92(93)116-94-85(98-99-97)87(106-68-77-53-38-31-39-54-77)86(101)83(114-94)75-105-67-76-51-36-30-37-52-76/h30-47,51-62,82-83,85-94,101H,3-29,48-50,63,65-75H2,1-2H3/t82-,83+,85+,86+,87+,88-,89-,90+,91-,92-,93-,94+,118?/m0/s1
InChIKey YLRPZZGJFREZTG-ZJOQSXDKSA-N
Mol Weight 1650.1 g/mol
Molecular Formula C95H133N4O18P
Exact Mass 1648.93525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sMi5jsljf1
Name #19;MAJOR-ISOMER;6-O-[2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-1-O-[(2-CYANOETHOXY)-(2-O-BENZYLOXYCARNBONYL)-3-O-OCTADECYL-SN-GLYCEROL)-PHOSPHON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C95H133N4O18P
InChI InChI=1S/C95H133N4O18P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-49-65-104-73-82(113-95(102)110-72-81-61-46-35-47-62-81)74-112-118(103,111-66-50-64-96)117-93-91(115-84(100)63-48-28-26-24-22-20-16-14-12-10-8-6-4-2)89(108-70-79-57-42-33-43-58-79)88(107-69-78-55-40-32-41-56-78)90(109-71-80-59-44-34-45-60-80)92(93)116-94-85(98-99-97)87(106-68-77-53-38-31-39-54-77)86(101)83(114-94)75-105-67-76-51-36-30-37-52-76/h30-47,51-62,82-83,85-94,101H,3-29,48-50,63,65-75H2,1-2H3/t82-,83+,85+,86+,87+,88-,89-,90+,91-,92-,93-,94+,118?/m0/s1
InChIKey YLRPZZGJFREZTG-ZJOQSXDKSA-N
Literature Reference Author J.XUE,Z.GUO
Literature Reference Citation J.AM.CHEM.SOC.,125,16334(2003)
Literature Reference DOI 10.1021/ja0382157
Molecular Weight 1650.091 g/mol
Sample ID 52124
Solvent CDCl3