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1,4-BIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLTHIOONATE-PROP-2-YNYL)-BENZENE
SpectraBase Compound ID 17zKzaW5zEJ
InChI InChI=1S/C52H64N2O24S2/c1-27(55)53-43-39(71-31(5)59)23-51(49(65)67-11,77-47(43)45(75-35(9)63)41(73-33(7)61)25-69-29(3)57)79-21-13-15-37-17-19-38(20-18-37)16-14-22-80-52(50(66)68-12)24-40(72-32(6)60)44(54-28(2)56)48(78-52)46(76-36(10)64)42(74-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51-,52-/m0/s1
InChIKey NSPJXQSGADUEKL-NSTGKKCVSA-N
Mol Weight 1165.2 g/mol
Molecular Formula C52H64N2O24S2
Exact Mass 1164.329043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35b1MkJXPJO
Name 1,4-BIS-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLTHIOONATE-PROP-2-YNYL)-BENZENE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64N2O24S2
InChI InChI=1S/C52H64N2O24S2/c1-27(55)53-43-39(71-31(5)59)23-51(49(65)67-11,77-47(43)45(75-35(9)63)41(73-33(7)61)25-69-29(3)57)79-21-13-15-37-17-19-38(20-18-37)16-14-22-80-52(50(66)68-12)24-40(72-32(6)60)44(54-28(2)56)48(78-52)46(76-36(10)64)42(74-34(8)62)26-70-30(4)58/h17-20,39-48H,21-26H2,1-12H3,(H,53,55)(H,54,56)/t39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,51-,52-/m0/s1
InChIKey NSPJXQSGADUEKL-NSTGKKCVSA-N
Literature Reference Author Z.GAN,R.ROY
Literature Reference Citation CAN.J.CHEM.,80,908(2002)
Literature Reference DOI 10.1139/v02-053
Molecular Weight 1165.199 g/mol
Solvent CDCl3
Source File Reference UWLU29942