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(4E,2S,3R)-2-N-Eicosanoyl-4-tetradecasphingenine
SpectraBase Compound ID 1NhL1LU4UjD
InChI InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey DLTXHYMYPKOZOA-TURZORIXSA-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 JkUe0YHO1ve
Name (4E,2S,3R)-2-N-Eicosanoyl-4-tetradecasphingenine
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H67NO3
InChI InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKey DLTXHYMYPKOZOA-TURZORIXSA-N
Instrument Name JEOL JMS700
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np0204491
Molecular Weight 537.914 g/mol
Optical Rotation [a]D20 = -4.0 (c = 0.082, CHCl3)
Reported Formula C34H67NO3
SMILES N(C(CCCCCCCCCCCCCCCCCCC)=O)[C@@](CO)([C@@](\C=C\CCCCCCCCC)(O)[H])[H]
SPLASH splash10-000i-6329000000-7cf8f57949c6ccf972d1
Source of Spectrum G4-66-468-3
Wiley ID 1881336