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Diacetyl obscuraminol C

View entire compound with spectra: 1 MS (GC)

Diacetyl obscuraminol C
SpectraBase Compound ID KT0PtPPLxc1
InChI InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,8-9,17,20H,1,6-7,10-16H2,2-4H3,(H,21,22)/b9-8+/t17-,20+/m0/s1
InChIKey CRMFIKHGVDDODO-QNICDLNXSA-N
Mol Weight 337.5 g/mol
Molecular Formula C20H35NO3
Exact Mass 337.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VnGlytbYo9
Name Diacetyl obscuraminol C
Alternate Name(s) Acetic acid [(2S,3R,11E)-2-acetamidohexadeca-11,15-dien-3-yl] ester [(2S,3R,11E)-2-acetamidohexadeca-11,15-dien-3-yl] acetate [(1R,9E)-1-[(1S)-1-acetamidoethyl]tetradeca-9,13-dienyl] acetate [(2S,3R,11E)-2-acetamidohexadeca-11,15-dien-3-yl] ethanoate
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Formula C20H35NO3
InChI InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,8-9,17,20H,1,6-7,10-16H2,2-4H3,(H,21,22)/b9-8+/t17-,20+/m0/s1
InChIKey CRMFIKHGVDDODO-QNICDLNXSA-N
Molecular Weight 337.504 g/mol
SMILES N(C(=O)C)[C@]([C@](OC(=O)C)(CCCCCCC\C=C\CCC=C)[H])(C)[H]
SPLASH splash10-000i-9030000000-b4d5b1b77e8f05b804a9
Source of Spectrum KC-57-4585-3
Wiley ID 1624227