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DODECYL-2,3,5-TRI-O-ACETYL-N-[2-(TRIMETHYLAMMONIO)-ETHYL]-BETA-D-GLUCOFURANOSIDURONAMIDE-IODIDE
SpectraBase Compound ID BkQ2ZsbJ5KT
InChI InChI=1S/C29H52N2O9.HI/c1-8-9-10-11-12-13-14-15-16-17-20-36-29-27(39-23(4)34)25(37-21(2)32)24(40-29)26(38-22(3)33)28(35)30-18-19-31(5,6)7;/h24-27,29H,8-20H2,1-7H3;1H/t24-,25-,26+,27+,29+;/m0./s1
InChIKey JLDMIFCDAIKDIA-IRUSIJJVSA-N
Mol Weight 700.7 g/mol
Molecular Formula C29H53IN2O9
Exact Mass 700.279576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCBMN11nAuu
Name DODECYL-2,3,5-TRI-O-ACETYL-N-[2-(TRIMETHYLAMMONIO)-ETHYL]-BETA-D-GLUCOFURANOSIDURONAMIDE-IODIDE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H53IN2O9
InChI InChI=1S/C29H52N2O9.HI/c1-8-9-10-11-12-13-14-15-16-17-20-36-29-27(39-23(4)34)25(37-21(2)32)24(40-29)26(38-22(3)33)28(35)30-18-19-31(5,6)7;/h24-27,29H,8-20H2,1-7H3;1H/t24-,25-,26+,27+,29+;/m0./s1
InChIKey JLDMIFCDAIKDIA-IRUSIJJVSA-N
Literature Reference Author H.W.C.RAAIJMAKERS,B.ZWANENBURG,G.J.F.CHITTENDEN
Literature Reference Citation REC.TR.CH.P.-B.,113,79(1994)
Literature Reference DOI 10.1002/recl.19941130203
Molecular Weight 700.652 g/mol
Solvent CDCl3
Source File Reference UWRK188