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N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE
SpectraBase Compound ID LUie20aHCxj
InChI InChI=1S/C42H83NO3/c1-5-39(4)34-30-26-22-18-15-16-19-23-27-31-35-41(45)40(37-44)43-42(46)36-32-28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-29-33-38(2)3/h31,35,38-41,44-45H,5-30,32-34,36-37H2,1-4H3,(H,43,46)/b35-31+/t39?,40-,41+/m0/s1
InChIKey AKRRDLMQDIRFIZ-XIEHMCMESA-N
Mol Weight 650.1 g/mol
Molecular Formula C42H83NO3
Exact Mass 649.637296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jRJpG8WLYi
Name N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H83NO3
InChI InChI=1S/C42H83NO3/c1-5-39(4)34-30-26-22-18-15-16-19-23-27-31-35-41(45)40(37-44)43-42(46)36-32-28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-29-33-38(2)3/h31,35,38-41,44-45H,5-30,32-34,36-37H2,1-4H3,(H,43,46)/b35-31+/t39?,40-,41+/m0/s1
InChIKey AKRRDLMQDIRFIZ-XIEHMCMESA-N
Literature Reference Author I.MANCINI,G.GUELLA,C.DEBITUS,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,77,51(1994)
Literature Reference DOI 10.1002/hlca.19940770108
Molecular Weight 650.126 g/mol
Solvent CDCl3
Source File Reference UWRK1954