For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Mcp(5-acamido-3,5-dideoxy-A-glycero-gal-2-nonulo-pyranosylonic acid)-(2-3)-B-galpyranosyl-(1-3)-2-acamido-2-deoxy-B-gl
SpectraBase Compound ID CUn2NXggq3C
InChI InChI=1S/C32H54N2O21/c1-13(38)33-20-15(40)9-32(31(47)48,54-27(20)22(43)16(41)10-35)55-28-24(45)18(12-37)52-30(25(28)46)53-26-21(34-14(2)39)29(51-17(11-36)23(26)44)50-8-6-4-5-7-19(42)49-3/h15-18,20-30,35-37,40-41,43-46H,4-12H2,1-3H3,(H,33,38)(H,34,39)(H,47,48)
InChIKey ALVGNAGLUKJOCO-UHFFFAOYSA-N
Mol Weight 802.8 g/mol
Molecular Formula C32H54N2O21
Exact Mass 802.321907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1j8aMuTOz7u
Name 5-Mcp(5-acamido-3,5-dideoxy-A-glycero-gal-2-nonulo-pyranosylonic acid)-(2-3)-B-galpyranosyl-(1-3)-2-acamido-2-deoxy-B-gl
CAS Registry Number 100605-34-3
Comments MCP:METHOXYCARBONYL-PENTYL,GAL:GALACTO,AC:ACET
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H54N2O21
InChI InChI=1S/C32H54N2O21/c1-13(38)33-20-15(40)9-32(31(47)48,54-27(20)22(43)16(41)10-35)55-28-24(45)18(12-37)52-30(25(28)46)53-26-21(34-14(2)39)29(51-17(11-36)23(26)44)50-8-6-4-5-7-19(42)49-3/h15-18,20-30,35-37,40-41,43-46H,4-12H2,1-3H3,(H,33,38)(H,34,39)(H,47,48)
InChIKey ALVGNAGLUKJOCO-UHFFFAOYSA-N
Instrument Name Finnigan 4021
Literature Reference S. Sabesan, J.C. Paulson, J. Am. Chem. Soc. 108, 2068 (1986).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O