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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-2-SULFOXYETHANAMIDE-SODIUM-SALT
SpectraBase Compound ID 50HGDxEl5B
InChI InChI=1S/C33H56N2O16S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-28(40)35-26(32(41)34-18-19-47-52(42,43)44)20-46-33-31(50-25(5)39)30(49-24(4)38)29(48-23(3)37)27(51-33)21-45-22(2)36;/h26-27,29-31,33H,6-21H2,1-5H3,(H,34,41)(H,35,40)(H,42,43,44);/q;+1/p-1/t26?,27-,29+,30+,31-,33-;/m1./s1
InChIKey WAYJCOYPKXZPHN-LPJBYHOXSA-M
Mol Weight 790.9 g/mol
Molecular Formula C33H55N2NaO16S
Exact Mass 790.316999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dhs4KbfqrV
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(TETRADECANOYL)-L-SERINE-2-SULFOXYETHANAMIDE-SODIUM-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H55N2NaO16S
InChI InChI=1S/C33H56N2O16S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-28(40)35-26(32(41)34-18-19-47-52(42,43)44)20-46-33-31(50-25(5)39)30(49-24(4)38)29(48-23(3)37)27(51-33)21-45-22(2)36;/h26-27,29-31,33H,6-21H2,1-5H3,(H,34,41)(H,35,40)(H,42,43,44);/q;+1/p-1/t26?,27-,29+,30+,31-,33-;/m1./s1
InChIKey WAYJCOYPKXZPHN-LPJBYHOXSA-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 790.853 g/mol
Sample ID 44589
Solvent CDCl3:CD3OD