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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4X08sS1tHbK
Name N-[(2S,3R,4E)-1,3-Dihydroxyhexadec-4-en-2-yl]-21-methyldocosanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 608.049 g/mol
SMILES N([C@@](CO)([C@@](\C=C\CCCCCCCCCCC)(O)[H])[H])C(=O)CCCCCCCCCCCCCCCCCCCC(C)C
SPLASH splash10-0006-9002000000-8f6881c73f50cde20ca8
Source of Spectrum H-77-55-2
Synonyms N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-pentadecenyl]-21-methyldocosanamide N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)pentadec-3-enyl]-21-methyl-docosanamide N-[(E,1S,2R)-2-hydroxy-1-methylol-pentadec-3-enyl]-21-methyl-behenamide N-[(E,2S,3R)-1,3-bis(oxidanyl)hexadec-4-en-2-yl]-21-methyl-docosanamide N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]-21-methyldocosanamide
Wiley ID 1410692