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(4E,2S,3R)-2-N-Octadecanoyl-4-tetradecasphingenine
SpectraBase Compound ID AaI3rDhCM63
InChI InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
InChIKey NCKNBDIYAHEWMH-JHRQRACZSA-N
Mol Weight 509.9 g/mol
Molecular Formula C32H63NO3
Exact Mass 509.480795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YUhihbIw1w
Name (4E,2S,3R)-2-N-Octadecanoyl-4-tetradecasphingenine
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H63NO3
InChI InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
InChIKey NCKNBDIYAHEWMH-JHRQRACZSA-N
Instrument Name JEOL JMS700
Ionization Type EI
Literature Reference DOI 10.1021/np0204491
Molecular Weight 509.860 g/mol
Optical Rotation [a]D20 = -3.5 (c = 0.012, CHCl3)
SMILES N(C(CCCCCCCCCCCCCCCCC)=O)[C@@](CO)([C@@](\C=C\CCCCCCCCC)(O)[H])[H]
SPLASH splash10-0bvi-6049000000-b4a15a3129cf32c21e0e
Source of Spectrum G4-66-468-1
Wiley ID 1881335