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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(11-CARBOXYUNDECANOYL)-L-SERINE-TETRADECANAMIDE
SpectraBase Compound ID 9xEID56nxSF
InChI InChI=1S/C43H74N2O14/c1-6-7-8-9-10-11-12-13-16-19-22-25-28-44-42(53)35(45-37(50)26-23-20-17-14-15-18-21-24-27-38(51)52)29-55-43-41(58-34(5)49)40(57-33(4)48)39(56-32(3)47)36(59-43)30-54-31(2)46/h35-36,39-41,43H,6-30H2,1-5H3,(H,44,53)(H,45,50)(H,51,52)/t35?,36-,39+,40+,41-,43-/m1/s1
InChIKey YBUHSOASLWDQDU-BINZDTMESA-N
Mol Weight 843.1 g/mol
Molecular Formula C43H74N2O14
Exact Mass 842.514005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZ60SO3acAN
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(11-CARBOXYUNDECANOYL)-L-SERINE-TETRADECANAMIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H74N2O14
InChI InChI=1S/C43H74N2O14/c1-6-7-8-9-10-11-12-13-16-19-22-25-28-44-42(53)35(45-37(50)26-23-20-17-14-15-18-21-24-27-38(51)52)29-55-43-41(58-34(5)49)40(57-33(4)48)39(56-32(3)47)36(59-43)30-54-31(2)46/h35-36,39-41,43H,6-30H2,1-5H3,(H,44,53)(H,45,50)(H,51,52)/t35?,36-,39+,40+,41-,43-/m1/s1
InChIKey YBUHSOASLWDQDU-BINZDTMESA-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 843.066 g/mol
Sample ID 44578
Solvent CDCl3