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(2S,3R,4E)-2-Azido-1,3-di-O-benzoyloctadec-4-ene-1,3-diol
SpectraBase Compound ID 2NkJfNoWF9I
InChI InChI=1S/C32H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-30(39-32(37)28-23-18-15-19-24-28)29(34-35-33)26-38-31(36)27-21-16-14-17-22-27/h14-25,29-30H,2-13,26H2,1H3/b25-20+/t29-,30+/m0/s1
InChIKey ODMQGPHLEWDIID-WAEYCULBSA-N
Mol Weight 533.7 g/mol
Molecular Formula C32H43N3O4
Exact Mass 533.325357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBsKEKdjdoq
Name (2S,3R,4E)-2-Azido-1,3-di-O-benzoyloctadec-4-ene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H43N3O4
InChI InChI=1S/C32H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-30(39-32(37)28-23-18-15-19-24-28)29(34-35-33)26-38-31(36)27-21-16-14-17-22-27/h14-25,29-30H,2-13,26H2,1H3/b25-20+/t29-,30+/m0/s1
InChIKey ODMQGPHLEWDIID-WAEYCULBSA-N
Molecular Weight 533.713 g/mol
SMILES [C@](N=[N+]=[N-])([C@](OC(=O)c1ccccc1)(\C=C\CCCCCCCCCCCCC)[H])(COC(=O)c1ccccc1)[H]
SPLASH splash10-0006-5902410000-dddd82905607536ed16d
Source of Spectrum SO-0-35-11
Synonyms (1R,2E)-1-[(1S)-1-azido-2-(benzoyloxy)ethyl]-2-hexadecenyl benzoate benzoic acid[(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enyl]ester [(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enyl]benzoate [(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enyl]benzoate benzoic acid [(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enyl] ester [(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enyl] benzoate [(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enyl] benzoate [(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate
Wiley ID 875236