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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfQyRLe2v3M
Name N-[(2S,3R,4E)-1,3-(Isopropylidenedioxy)-16-methyloctadec-4-en-2-yl]-21-methyldocosanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 690.195 g/mol
SMILES N([C@@]1([C@](OC(OC1)(C)C)(\C=C\CCCCCCCCCCC(CC)C)[H])[H])C(=O)CCCCCCCCCCCCCCCCCCCC(C)C
SPLASH splash10-054o-9003000000-fb0176e75b794170d8aa
Source of Spectrum H-77-57-12
Synonyms N-{(4R,5S)-2,2-dimethyl-4-[(1E)-13-methyl-1-pentadecenyl]-1,3-dioxan-5-yl}-21-methyldocosanamide
Wiley ID 1414649