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Ceramide 4

View entire compound with spectra: 1 MS (GC)

Ceramide 4
SpectraBase Compound ID E2toMI3CemP
InChI InChI=1S/C34H67NO3/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/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33?/m0/s1
InChIKey YDNKGFDKKRUKPY-DCQZBHRHSA-N
Mol Weight 537.9 g/mol
Molecular Formula C34H67NO3
Exact Mass 537.512095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsHMhMJnizS
Name Ceramide 4
Alternate Name(s) N-Palmitoyl-D-(erythro)-(2S,3R)-octadecasphinga-4(E)-ene N-[(E,2S)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide N-[(E,1S)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexadecanamide N-[(E,2S)-1,3-bis(oxidanyl)octadec-4-en-2-yl]hexadecanamide
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Formula C34H67NO3
InChI InChI=1S/C34H67NO3/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/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33?/m0/s1
InChIKey YDNKGFDKKRUKPY-DCQZBHRHSA-N
Molecular Weight 537.914 g/mol
SMILES N([C@@](CO)(C(\C=C\CCCCCCCCCCCCC)O)[H])C(=O)CCCCCCCCCCCCCCC
SPLASH splash10-03e9-3096000000-e9db84a4355620351764
Source of Spectrum G4-58-952-4
Wiley ID 1605931