For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LatEFWobpN3
Name 21-Methyl-N-[(E,2S,3R)-15-methyl-1,3-bis(oxidanyl)hexadec-4-en-2-yl]docosanamide
Alternate Name(s) N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)-14-methyl-pentadec-3-enyl]-21-methyl-docosanamide N-[(E,1S,2R)-2-hydroxy-14-methyl-1-methylol-pentadec-3-enyl]-21-methyl-behenamide N-[(E,2S,3R)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]-21-methyldocosanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 622.076 g/mol
SMILES N([C@@](CO)([C@@](\C=C\CCCCCCCCCC(C)C)(O)[H])[H])C(=O)CCCCCCCCCCCCCCCCCCCC(C)C
SPLASH splash10-052f-9001000000-533b981f212e2baec469
Source of Spectrum H-77-55-3
Wiley ID 1411609