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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-[3-(2-SULFOETHYLCARBAMOYL)-PROPIONYL]-L-SERINE-TETRADECANAMIDE
SpectraBase Compound ID Jcu7fs7RYck
InChI InChI=1S/C37H63N3O16S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-39-36(47)29(40-32(46)19-18-31(45)38-21-22-57(48,49)50)23-52-37-35(55-28(5)44)34(54-27(4)43)33(53-26(3)42)30(56-37)24-51-25(2)41;/h29-30,33-35,37H,6-24H2,1-5H3,(H,38,45)(H,39,47)(H,40,46)(H,48,49,50);/q;+1/p-1/t29?,30-,33+,34+,35-,37-;/m1./s1
InChIKey UJXGLWGTYJFKED-MXDIAQDUSA-M
Mol Weight 860.0 g/mol
Molecular Formula C37H62N3NaO16S
Exact Mass 859.374848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYbbfVFJUbC
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-[3-(2-SULFOETHYLCARBAMOYL)-PROPIONYL]-L-SERINE-TETRADECANAMIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H62N3NaO16S
InChI InChI=1S/C37H63N3O16S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-39-36(47)29(40-32(46)19-18-31(45)38-21-22-57(48,49)50)23-52-37-35(55-28(5)44)34(54-27(4)43)33(53-26(3)42)30(56-37)24-51-25(2)41;/h29-30,33-35,37H,6-24H2,1-5H3,(H,38,45)(H,39,47)(H,40,46)(H,48,49,50);/q;+1/p-1/t29?,30-,33+,34+,35-,37-;/m1./s1
InChIKey UJXGLWGTYJFKED-MXDIAQDUSA-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 859.960 g/mol
Sample ID 44591
Solvent CDCl3:CD3OD