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(2S,2'R,3R,4E,8E)-N-2'-Hydroxytetradecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
SpectraBase Compound ID JECtyMSV0DU
InChI InChI=1S/C33H63NO4/c1-4-6-8-10-12-13-14-16-18-22-27-32(37)33(38)34-30(28-35)31(36)26-23-19-21-25-29(3)24-20-17-15-11-9-7-5-2/h23,25-26,30-32,35-37H,4-22,24,27-28H2,1-3H3,(H,34,38)/b26-23+,29-25+/t30-,31-,32+/m0/s1
InChIKey DEKGAKCJRCZBDX-BFLZGTEYSA-N
Mol Weight 537.9 g/mol
Molecular Formula C33H63NO4
Exact Mass 537.47571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lDRVBueu5R
Name (2S,2'R,3R,4E,8E)-N-2'-Hydroxytetradecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
Alternate Name(s) (2R)-2-hydroxy-N-[(1S,2S,3E,7E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-3,7-heptadecadienyl]tetradecanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H63NO4
InChI InChI=1S/C33H63NO4/c1-4-6-8-10-12-13-14-16-18-22-27-32(37)33(38)34-30(28-35)31(36)26-23-19-21-25-29(3)24-20-17-15-11-9-7-5-2/h23,25-26,30-32,35-37H,4-22,24,27-28H2,1-3H3,(H,34,38)/b26-23+,29-25+/t30-,31-,32+/m0/s1
InChIKey DEKGAKCJRCZBDX-BFLZGTEYSA-N
Molecular Weight 537.870 g/mol
SMILES N(C([C@](O)(CCCCCCCCCCCC)[H])=O)[C@@](CO)([C@](\C=C\CC\C=C\(CCCCCCCCC)C)(O)[H])[H]
SPLASH splash10-014i-0910000000-9b0cac60c8cd9c081dea
Source of Spectrum E2-50-684-5
Wiley ID 1555821