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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-TETRADECANAMIDE
SpectraBase Compound ID Y0PSuHOhtQ
InChI InChI=1S/C35H58N2O14/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-36-34(45)27(37-29(42)18-19-30(43)44)21-47-35-33(50-26(5)41)32(49-25(4)40)31(48-24(3)39)28(51-35)22-46-23(2)38/h27-28,31-33,35H,6-22H2,1-5H3,(H,36,45)(H,37,42)(H,43,44)/t27?,28-,31+,32+,33-,35-/m1/s1
InChIKey ITLIQIOLLORZFJ-SZCRHJNLSA-N
Mol Weight 730.8 g/mol
Molecular Formula C35H58N2O14
Exact Mass 730.388805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDW2AVnVYY2
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(3-CARBOXYPROPIONYL)-L-SERINE-TETRADECANAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H58N2O14
InChI InChI=1S/C35H58N2O14/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-36-34(45)27(37-29(42)18-19-30(43)44)21-47-35-33(50-26(5)41)32(49-25(4)40)31(48-24(3)39)28(51-35)22-46-23(2)38/h27-28,31-33,35H,6-22H2,1-5H3,(H,36,45)(H,37,42)(H,43,44)/t27?,28-,31+,32+,33-,35-/m1/s1
InChIKey ITLIQIOLLORZFJ-SZCRHJNLSA-N
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 730.851 g/mol
Sample ID 44580
Solvent CDCl3