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N-[(2S,3R,4E)-1,3-(Isopropylidenedioxy)-16-methyloctadec-4-en-2-yl]-21-methyldocosanamide
SpectraBase Compound ID 7cNr7fmSla2
InChI InChI=1S/C45H87NO3/c1-7-41(4)36-32-28-24-20-17-18-21-25-29-33-37-43-42(39-48-45(5,6)49-43)46-44(47)38-34-30-26-22-16-14-12-10-8-9-11-13-15-19-23-27-31-35-40(2)3/h33,37,40-43H,7-32,34-36,38-39H2,1-6H3,(H,46,47)/b37-33+/t41?,42-,43+/m0/s1
InChIKey LAIOENMZEKAYHT-HEXAJAPSSA-N
Mol Weight 690.2 g/mol
Molecular Formula C45H87NO3
Exact Mass 689.668596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E7GZgYkb55
Name N-[(2S,3R,4E)-1,3-(ISOPROPYLIDENEDIOXY)-16-METHYLOCTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H87NO3
InChI InChI=1S/C45H87NO3/c1-7-41(4)36-32-28-24-20-17-18-21-25-29-33-37-43-42(39-48-45(5,6)49-43)46-44(47)38-34-30-26-22-16-14-12-10-8-9-11-13-15-19-23-27-31-35-40(2)3/h33,37,40-43H,7-32,34-36,38-39H2,1-6H3,(H,46,47)/b37-33+/t41?,42-,43+/m0/s1
InChIKey LAIOENMZEKAYHT-HEXAJAPSSA-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 690.191 g/mol
Solvent CDCl3
Source File Reference UWRK1963