N-[(2S,3R,4E)-1,3-DIHYDROXY-16-METHYLOCTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE

SpectraBase Compound ID	LUie20aHCxj
InChI	InChI=1S/C42H83NO3/c1-5-39(4)34-30-26-22-18-15-16-19-23-27-31-35-41(45)40(37-44)43-42(46)36-32-28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-29-33-38(2)3/h31,35,38-41,44-45H,5-30,32-34,36-37H2,1-4H3,(H,43,46)/b35-31+/t39?,40-,41+/m0/s1
InChIKey	AKRRDLMQDIRFIZ-XIEHMCMESA-N Google Search
Mol Weight	650.1 g/mol
Molecular Formula	C42H83NO3
Exact Mass	649.637296 g/mol

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SpectraBase Spectrum ID	KybeRxBMxKE
Name	21-Methyl-N-[(E,2S,3R)-16-methyl-1,3-bis(oxidanyl)octadec-4-en-2-yl]docosanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H83NO3
InChI	InChI=1S/C42H83NO3/c1-5-39(4)34-30-26-22-18-15-16-19-23-27-31-35-41(45)40(37-44)43-42(46)36-32-28-24-20-14-12-10-8-6-7-9-11-13-17-21-25-29-33-38(2)3/h31,35,38-41,44-45H,5-30,32-34,36-37H2,1-4H3,(H,43,46)/b35-31+/t39?,40-,41+/m0/s1
InChIKey	AKRRDLMQDIRFIZ-XIEHMCMESA-N
Molecular Weight	650.130 g/mol
SMILES	N([C@@](CO)([C@@](\C=C\CCCCCCCCCCC(CC)C)(O)[H])[H])C(=O)CCCCCCCCCCCCCCCCCCCC(C)C
SPLASH	splash10-052f-9002000000-16dc840abcc1366d1fb6
Source of Spectrum	H-77-55-6
Synonyms	N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)-15-methyl-heptadec-3-enyl]-21-methyl-docosanamide N-[(E,1S,2R)-2-hydroxy-15-methyl-1-methylol-heptadec-3-enyl]-21-methyl-behenamide N-[(E,2S,3R)-1,3-dihydroxy-16-methyloctadec-4-en-2-yl]-21-methyldocosanamide
Wiley ID	1413077