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(2S,3S,4R)-2-Acetamino-1,3,4-Triacetoxy-8,9-di(methylthio)-octadecane

View entire compound with spectra: 1 MS (GC)

(2S,3S,4R)-2-Acetamino-1,3,4-Triacetoxy-8,9-di(methylthio)-octadecane
SpectraBase Compound ID DG9Acywd2zT
InChI InChI=1S/C28H51NO7S2/c1-8-9-10-11-12-13-14-17-26(37-6)27(38-7)18-15-16-25(35-22(4)32)28(36-23(5)33)24(29-20(2)30)19-34-21(3)31/h24-28H,8-19H2,1-7H3,(H,29,30)/t24-,25+,26?,27?,28-/m0/s1
InChIKey SDTYLTHFMAQTSU-AUTUJSJQSA-N
Mol Weight 577.8 g/mol
Molecular Formula C28H51NO7S2
Exact Mass 577.310695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Kg0kWVfjcv
Name (2S,3S,4R)-2-Acetamino-1,3,4-Triacetoxy-8,9-di(methylthio)-octadecane
Alternate Name(s) (1S,2R)-1-[(1S)-1-(acetylamino)-2-(acetyloxy)ethyl]-2-(acetyloxy)-6,7-bis(methylsulfanyl)hexadecyl acetate Acetic acid[(2S,3S,4R)-2-acetamido-3,4-diacetoxy-8,9-bis(methylthio)octadecyl]ester Acetic acid[(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylthio)octadecyl]ester [(2S,3S,4R)-2-acetamido-3,4-diacetoxy-8,9-bis(methylsulfanyl)octadecyl]acetate [(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylsulfanyl)octadecyl]acetate [(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylsulfanyl)octadecyl]ethanoate Acetic acid [(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylthio)octadecyl] ester [(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylsulfanyl)octadecyl] acetate [(2S,3S,4R)-2-acetamido-3,4-diacetoxy-8,9-bis(methylsulfanyl)octadecyl] acetate [(2S,3S,4R)-2-acetamido-3,4-diacetyloxy-8,9-bis(methylsulfanyl)octadecyl] ethanoate
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Formula C28H51NO7S2
InChI InChI=1S/C28H51NO7S2/c1-8-9-10-11-12-13-14-17-26(37-6)27(38-7)18-15-16-25(35-22(4)32)28(36-23(5)33)24(29-20(2)30)19-34-21(3)31/h24-28H,8-19H2,1-7H3,(H,29,30)/t24-,25+,26?,27?,28-/m0/s1
InChIKey SDTYLTHFMAQTSU-AUTUJSJQSA-N
Molecular Weight 577.836 g/mol
SMILES N([C@]([C@@]([C@](OC(=O)C)(CCCC(C(SC)CCCCCCCCC)SC)[H])(OC(=O)C)[H])(COC(=O)C)[H])C(=O)C
SPLASH splash10-001i-0109000000-4324faed25a46047ce56
Source of Spectrum E2-52-31-3
Wiley ID 1556388