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2,4,6-TRIS-[2-[4'-(2'',3'',4'',6''-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-1'H-[1',2',3']-TRIAZOL-1'-YL]-ETHOXY]-1,3,5-TRIAZINE
SpectraBase Compound ID 2WQz76Y0OVy
InChI InChI=1S/C60H78N12O33/c1-28(73)88-25-43-46(94-31(4)76)49(97-34(7)79)52(100-37(10)82)55(103-43)91-22-40-19-70(67-64-40)13-16-85-58-61-59(86-17-14-71-20-41(65-68-71)23-92-56-53(101-38(11)83)50(98-35(8)80)47(95-32(5)77)44(104-56)26-89-29(2)74)63-60(62-58)87-18-15-72-21-42(66-69-72)24-93-57-54(102-39(12)84)51(99-36(9)81)48(96-33(6)78)45(105-57)27-90-30(3)75/h19-21,43-57H,13-18,22-27H2,1-12H3/t43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+/m1/s1
InChIKey FPEUILLTNXBUDS-PNDODEITSA-N
Mol Weight 1495.3 g/mol
Molecular Formula C60H78N12O33
Exact Mass 1494.479423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KuleWDZqr9
Name 2,4,6-TRIS-[2-[4'-(2'',3'',4'',6''-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYLOXYMETHYL)-1'H-[1',2',3']-TRIAZOL-1'-YL]-ETHOXY]-1,3,5-TRIAZINE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H78N12O33
InChI InChI=1S/C60H78N12O33/c1-28(73)88-25-43-46(94-31(4)76)49(97-34(7)79)52(100-37(10)82)55(103-43)91-22-40-19-70(67-64-40)13-16-85-58-61-59(86-17-14-71-20-41(65-68-71)23-92-56-53(101-38(11)83)50(98-35(8)80)47(95-32(5)77)44(104-56)26-89-29(2)74)63-60(62-58)87-18-15-72-21-42(66-69-72)24-93-57-54(102-39(12)84)51(99-36(9)81)48(96-33(6)78)45(105-57)27-90-30(3)75/h19-21,43-57H,13-18,22-27H2,1-12H3/t43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+/m1/s1
InChIKey FPEUILLTNXBUDS-PNDODEITSA-N
Literature Reference Author F.PEREZ-BALDERAS,M.ORTEGA-MUNOZ,J.MORALES-SANFRUTOS,F.HERNAN DEZ-MATEO,F.G.CALVO-
Literature Reference Citation ORG.LETTERS,5,1951(2003)
Literature Reference DOI 10.1021/ol034534r
Molecular Weight 1495.340 g/mol
Sample ID 33844
Solvent CDCl3