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(2S,2'R,3R,4E,8E)-N-2'-Hydroxypentadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
SpectraBase Compound ID 2K4OzEm3W8B
InChI InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1
InChIKey KDJJIDJLVVZMJR-KUIYMZJFSA-N
Mol Weight 551.9 g/mol
Molecular Formula C34H65NO4
Exact Mass 551.49136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWgI5GO2pJN
Name (2S,2'R,3R,4E,8E)-N-2'-Hydroxypentadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H65NO4
InChI InChI=1S/C34H65NO4/c1-4-6-8-10-12-13-14-15-17-19-23-28-33(38)34(39)35-31(29-36)32(37)27-24-20-22-26-30(3)25-21-18-16-11-9-7-5-2/h24,26-27,31-33,36-38H,4-23,25,28-29H2,1-3H3,(H,35,39)/b27-24+,30-26+/t31-,32+,33+/m0/s1
InChIKey KDJJIDJLVVZMJR-KUIYMZJFSA-N
Molecular Weight 551.897 g/mol
SMILES N(C([C@](O)(CCCCCCCCCCCCC)[H])=O)[C@@](CO)([C@@](\C=C\CC\C=C\(CCCCCCCCC)C)(O)[H])[H]
SPLASH splash10-001i-0093000000-a5ca8244a8ac81752447
Source of Spectrum E2-50-683-4
Synonyms (2R)-2-hydroxy-N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-3,7-heptadecadienyl]pentadecanamide (2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxypentadecanamide (2R)-2-hydroxy-N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-heptadeca-3,7-dienyl]pentadecanamide (2R)-N-[(2S,3R,4E,8E)-9-methyl-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-pentadecanamide
Wiley ID 1555822