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(2S,3R,4E,8E)-N-HEXADECANOYL-2-AMINO-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL
SpectraBase Compound ID BTmfRrlcDpN
InChI InChI=1S/C35H67NO3/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-35(39)36-33(31-37)34(38)29-25-22-24-28-32(3)27-23-20-18-11-9-7-5-2/h25,28-29,33-34,37-38H,4-24,26-27,30-31H2,1-3H3,(H,36,39)/b29-25+,32-28+/t33-,34+/m0/s1
InChIKey KPPGVIOJIIETHZ-JUPSTNAXSA-N
Mol Weight 549.9 g/mol
Molecular Formula C35H67NO3
Exact Mass 549.512095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QdcRynyCZt
Name N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-heptadeca-3,7-dienyl]hexadecanamide
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Formula C35H67NO3
InChI InChI=1S/C35H67NO3/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-35(39)36-33(31-37)34(38)29-25-22-24-28-32(3)27-23-20-18-11-9-7-5-2/h25,28-29,33-34,37-38H,4-24,26-27,30-31H2,1-3H3,(H,36,39)/b29-25+,32-28+/t33-,34+/m0/s1
InChIKey KPPGVIOJIIETHZ-JUPSTNAXSA-N
Molecular Weight 549.925 g/mol
SMILES N([C@@](CO)([C@@](\C=C\CC\C=C\(CCCCCCCCC)C)(O)[H])[H])C(=O)CCCCCCCCCCCCCCC
SPLASH splash10-001i-0090000000-ad0bb10dd852fa449a7e
Source of Spectrum E2-50-683-1
Synonyms N-[(1S,2R,3E,7E)-2-hydroxy-8-methyl-1-methylol-heptadeca-3,7-dienyl]palmitamide N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide N-[(2S,3R,4E,8E)-9-methyl-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]hexadecanamide
Wiley ID 1555825