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N-[[2S,3R,(4E,8E)]-1,3-DIHYDROXY-OCTADECA-4,8-DIEN-2-YL]-HEXADECANAMIDE
SpectraBase Compound ID 8LRbEsS3aKK
InChI InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1
InChIKey GMWIWVUTMCBDSP-ILAZMTIGSA-N
Mol Weight 535.9 g/mol
Molecular Formula C34H65NO3
Exact Mass 535.496445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWMerxlf4KS
Name D(-)-2S,3R-2-Aminooctadeca-4E,8E-diene-1,3-diol-N-palmitate
Appearance Colourless amorphous mass
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Exact Mass 535.496444954 u
Formula C34H65NO3
InChI InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1
InChIKey GMWIWVUTMCBDSP-ILAZMTIGSA-N
Instrument Name Hewlett Packard Model M5890 Series II
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.916
Molecular Weight 535.898 g/mol
Optical Rotation [a]D = -6.8 (c = 0.21, MeOH), [a]D = -4.0 (c = 0.32, CHCl3)
SMILES O[C@@]([C@](CO)(NC(=O)CCCCCCCCCCCCCCC)[H])(\C=C\CC\C=C\CCCCCCCCC)[H]
SPLASH splash10-001i-0090000000-7b751d03eac105df4e05
Source of Spectrum ARK-2003-137-1 (DOI: 10.3998/ark.5550190.0004.916)
Thin-Layer Chromatography 0.6 (CHCl3/MeOH, 90:10)
Wiley ID 1900062