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3-O-(BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-TETRADECANAMIDE-SODIUM-SALT;II-GAL-SER-[C14]-[C3CO2NA]
SpectraBase Compound ID Irn2gwgLTzF
InChI InChI=1S/C27H50N2O10.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-26(37)19(29-21(31)14-15-22(32)33)18-38-27-25(36)24(35)23(34)20(17-30)39-27;/h19-20,23-25,27,30,34-36H,2-18H2,1H3,(H,28,37)(H,29,31)(H,32,33);/q;+1/p-1/t19?,20-,23+,24+,25-,27-;/m0./s1
InChIKey HKOVOZCYTVIWOT-JKWRCLGMSA-M
Mol Weight 584.7 g/mol
Molecular Formula C27H49N2NaO10
Exact Mass 584.32849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlfysUs3DB1
Name 3-O-(BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-TETRADECANAMIDE-SODIUM-SALT;II-GAL-SER-[C14]-[C3CO2NA]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H49N2NaO10
InChI InChI=1S/C27H50N2O10.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-26(37)19(29-21(31)14-15-22(32)33)18-38-27-25(36)24(35)23(34)20(17-30)39-27;/h19-20,23-25,27,30,34-36H,2-18H2,1H3,(H,28,37)(H,29,31)(H,32,33);/q;+1/p-1/t19?,20-,23+,24+,25-,27-;/m0./s1
InChIKey HKOVOZCYTVIWOT-JKWRCLGMSA-M
Literature Reference Author B.FAROUX-CORLAY,J.GREINER,R.TERREUX,D.CABROL-BASS,A.M.AUBERT IN,P.VIERLING,J.FANT
Literature Reference Citation J.MED.CHEM.,44,2188(2001)
Literature Reference DOI 10.1021/jm0011124
Molecular Weight 584.683 g/mol
Sample ID 44590
Solvent D2O