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3-O-(BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-SODIUM-SALT;I-GAL-SER-[CO2NA]-[C14]
SpectraBase Compound ID GEFZfO5U9Ri
InChI InChI=1S/C23H43NO9.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(26)24-16(22(30)31)15-32-23-21(29)20(28)19(27)17(14-25)33-23;/h16-17,19-21,23,25,27-29H,2-15H2,1H3,(H,24,26)(H,30,31);/q;+1/p-1/t16?,17-,19+,20+,21-,23-;/m0./s1
InChIKey LTELIPWTBUFVJO-VUFINAHXSA-M
Mol Weight 499.6 g/mol
Molecular Formula C23H42NNaO9
Exact Mass 499.275726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CELnBP8WVjf
Name 3-O-(BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-SODIUM-SALT;I-GAL-SER-[CO2NA]-[C14]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H42NNaO9
InChI InChI=1S/C23H43NO9.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(26)24-16(22(30)31)15-32-23-21(29)20(28)19(27)17(14-25)33-23;/h16-17,19-21,23,25,27-29H,2-15H2,1H3,(H,24,26)(H,30,31);/q;+1/p-1/t16?,17-,19+,20+,21-,23-;/m0./s1
InChIKey LTELIPWTBUFVJO-VUFINAHXSA-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 499.578 g/mol
Sample ID 44570
Solvent CDCl3:CD3OD