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N-[(2S,3R,4E)-1,3-DIHYDROXYHEXADEC-4-EN-2-YL]-12-METHYLDOCOSANAMIDE
SpectraBase Compound ID K8vBSLYfOBB
InChI InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-17-21-24-27-30-33-38(42)37(35-41)40-39(43)34-31-28-25-22-19-16-14-12-10-11-13-15-18-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
InChIKey YWSQHNXNWSOXHY-KNEGYRQWSA-N
Mol Weight 608.0 g/mol
Molecular Formula C39H77NO3
Exact Mass 607.590345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoUjNAAWbAk
Name N-[(2S,3R,4E)-1,3-DIHYDROXYHEXADEC-4-EN-2-YL]-12-METHYLDOCOSANAMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H77NO3
InChI InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-17-21-24-27-30-33-38(42)37(35-41)40-39(43)34-31-28-25-22-19-16-14-12-10-11-13-15-18-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
InChIKey YWSQHNXNWSOXHY-KNEGYRQWSA-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 608.045 g/mol
Solvent CDCl3
Source File Reference UWRK1949