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N-[(2S,3R,4E)-1,3-DIHYDROXY-15-METHYLHEXADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE
SpectraBase Compound ID Ax5kOkfonvp
InChI InChI=1S/C40H79NO3/c1-36(2)31-27-23-19-15-12-10-8-6-5-7-9-11-13-18-22-26-30-34-40(44)41-38(35-42)39(43)33-29-25-21-17-14-16-20-24-28-32-37(3)4/h29,33,36-39,42-43H,5-28,30-32,34-35H2,1-4H3,(H,41,44)/b33-29+/t38-,39+/m0/s1
InChIKey YCQRFGFDYJPLCQ-FZYMIUGUSA-N
Mol Weight 622.1 g/mol
Molecular Formula C40H79NO3
Exact Mass 621.605995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rEvwSgdPBK
Name N-[(2S,3R,4E)-1,3-DIHYDROXY-15-METHYLHEXADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H79NO3
InChI InChI=1S/C40H79NO3/c1-36(2)31-27-23-19-15-12-10-8-6-5-7-9-11-13-18-22-26-30-34-40(44)41-38(35-42)39(43)33-29-25-21-17-14-16-20-24-28-32-37(3)4/h29,33,36-39,42-43H,5-28,30-32,34-35H2,1-4H3,(H,41,44)/b33-29+/t38-,39+/m0/s1
InChIKey YCQRFGFDYJPLCQ-FZYMIUGUSA-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 622.072 g/mol
Solvent CDCl3
Source File Reference UWRK1950