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(2S, 3S, 4R, 2'R, 3'S)-2-[N-(2',3'-Diacetoxyeicosanoyl)amino]-1,3,4-triacetoxydocosane
SpectraBase Compound ID 1mbsg2ri5ki
InChI InChI=1S/C52H95NO11/c1-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-48(61-43(4)55)50(63-45(6)57)47(41-60-42(3)54)53-52(59)51(64-46(7)58)49(62-44(5)56)40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-2/h47-51H,8-41H2,1-7H3,(H,53,59)/t47-,48+,49-,50-,51+/m0/s1
InChIKey HIACGXJFOOMLQF-IWJFUUEASA-N
Mol Weight 910.3 g/mol
Molecular Formula C52H95NO11
Exact Mass 909.690513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XfNf9jhQAX
Name (2S, 3S, 4R, 2'R, 3'S)-2-[N-(2',3'-Diacetoxyeicosanoyl)amino]-1,3,4-triacetoxydocosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H95NO11
InChI InChI=1S/C52H95NO11/c1-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-48(61-43(4)55)50(63-45(6)57)47(41-60-42(3)54)53-52(59)51(64-46(7)58)49(62-44(5)56)40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-2/h47-51H,8-41H2,1-7H3,(H,53,59)/t47-,48+,49-,50-,51+/m0/s1
InChIKey HIACGXJFOOMLQF-IWJFUUEASA-N
Molecular Weight 910.328 g/mol
SMILES N(C([C@@]([C@@](OC(=O)C)(CCCCCCCCCCCCCCCCC)[H])(OC(=O)C)[H])=O)[C@]([C@@]([C@](OC(=O)C)(CCCCCCCCCCCCCCCCCC)[H])(OC(=O)C)[H])(COC(=O)C)[H]
SPLASH splash10-0006-0005201900-6e18f4c03ff11d806fa7
Source of Spectrum AF-49-5838-27
Synonyms Acetic acid [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R,3S)-2,3-diacetyloxy-1-oxoeicosyl]amino]docosyl] ester [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R,3S)-2,3-diacetyloxyicosanoyl]amino]docosyl] acetate [(2S,3S,4R)-3,4-diacetoxy-2-[[(2R,3S)-2,3-diacetoxyicosanoyl]amino]docosyl] acetate [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R,3S)-2,3-diacetyloxyicosanoyl]amino]docosyl] ethanoate
Wiley ID 1694153