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(2S,3S,4R)-2-[(2'R)-2'-HYDROXYTETRACOSANOYL-AMINO]-1,3,4-OCTADECANETRIOL
SpectraBase Compound ID 7SlZ0S8bkS8
InChI InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
InChIKey ZFUXWVVVWGWGPQ-QLLOZFISSA-N
Mol Weight 684.1 g/mol
Molecular Formula C42H85NO5
Exact Mass 683.642775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1ZCGcTnmGb
Name (2S,3S,4R)-2-[(2'R)-2'-HYDROXYTETRACOSANOYL-AMINO]-1,3,4-OCTADECANETRIOL
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H85NO5
InChI InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40+,41-/m0/s1
InChIKey ZFUXWVVVWGWGPQ-QLLOZFISSA-N
Literature Reference Author D.W.HUANG,C.P.CHUNG,Y.H.KUO,Y.L.LIN,W.CHIANG
Literature Reference Citation J.AGR.FOOD.CHEM.,57,10651(2009)
Literature Reference DOI 10.1021/jf9028514
Molecular Weight 684.141 g/mol
Sample ID 68234
Solvent C5D5N