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N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-DOCOSANAMIDE

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N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-DOCOSANAMIDE
SpectraBase Compound ID Ccz1JzcOwNe
InChI InChI=1S/C41H81NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-20-22-25-28-31-34-38(3)5-2/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t38?,39-,40+/m0/s1
InChIKey OSDVLDOXWCDJJD-QVCIVCIESA-N
Mol Weight 636.1 g/mol
Molecular Formula C41H81NO3
Exact Mass 635.621645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMbjXSX4U67
Name N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-DOCOSANAMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H81NO3
InChI InChI=1S/C41H81NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-36-41(45)42-39(37-43)40(44)35-32-29-26-23-21-20-22-25-28-31-34-38(3)5-2/h32,35,38-40,43-44H,4-31,33-34,36-37H2,1-3H3,(H,42,45)/b35-32+/t38?,39-,40+/m0/s1
InChIKey OSDVLDOXWCDJJD-QVCIVCIESA-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 636.099 g/mol
Solvent CDCl3
Source File Reference UWRK1953