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4-[(3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-PROPIONAMIDO]-PROPOXY]-BENZAMIDO]-METHYL]-BENZYLACRYLATE
SpectraBase Compound ID KZ2pit84YFH
InChI InChI=1S/C58H75N3O25S2/c1-10-49(72)78-29-41-15-13-40(14-16-41)28-61-56(73)42-25-43(74-21-11-19-59-47(70)17-23-87-57-54(83-38(8)68)52(81-36(6)66)50(79-34(4)64)45(85-57)30-76-32(2)62)27-44(26-42)75-22-12-20-60-48(71)18-24-88-58-55(84-39(9)69)53(82-37(7)67)51(80-35(5)65)46(86-58)31-77-33(3)63/h10,13-16,25-27,45-46,50-55,57-58H,1,11-12,17-24,28-31H2,2-9H3,(H,59,70)(H,60,71)(H,61,73)/t45-,46+,50-,51+,52+,53-,54-,55+,57+,58-
InChIKey XGCFZLQCCPGINP-MRNRAZFESA-N
Mol Weight 1278.4 g/mol
Molecular Formula C58H75N3O25S2
Exact Mass 1277.413107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaHaYA9jZem
Name 4-[(3,5-BIS-[3-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLTHIO)-PROPIONAMIDO]-PROPOXY]-BENZAMIDO]-METHYL]-BENZYLACRYLATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H75N3O25S2
InChI InChI=1S/C58H75N3O25S2/c1-10-49(72)78-29-41-15-13-40(14-16-41)28-61-56(73)42-25-43(74-21-11-19-59-47(70)17-23-87-57-54(83-38(8)68)52(81-36(6)66)50(79-34(4)64)45(85-57)30-76-32(2)62)27-44(26-42)75-22-12-20-60-48(71)18-24-88-58-55(84-39(9)69)53(82-37(7)67)51(80-35(5)65)46(86-58)31-77-33(3)63/h10,13-16,25-27,45-46,50-55,57-58H,1,11-12,17-24,28-31H2,2-9H3,(H,59,70)(H,60,71)(H,61,73)/t45-,46+,50-,51+,52+,53-,54-,55+,57+,58-
InChIKey XGCFZLQCCPGINP-MRNRAZFESA-N
Literature Reference Author A.ZISTLER,S.KOCH,A.D.SCHLUETER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,501(1999)
Literature Reference DOI 10.1039/a808373h
Molecular Weight 1278.359 g/mol
Solvent CDCl3
Source File Reference UWGE3457