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9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 1-acetate
SpectraBase Compound ID 3BWQDhhUpGf
InChI InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+
InChIKey VVURZXYIXNNJCG-XNTDXEJSSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IopXxh8HNr1
Name 9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 1-acetate
Alternate Name(s) (9E)-11,16-dihydroxy-9,17-octadecadiene-12,14-diynyl acetate 11,16-Dihydroxyoctadeca-9c,17-dien-12,14-diyn-1-0l-acetate [(9E)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate [(9E)-11,16-bis(oxidanyl)octadeca-9,17-dien-12,14-diynyl] ethanoate
CAS Registry Number 52061-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+
InChIKey VVURZXYIXNNJCG-XNTDXEJSSA-N
Molecular Weight 332.440 g/mol
SMILES OC(C#CC#CC(\C=C\CCCCCCCCOC(=O)C)O)C=C
SPLASH splash10-0006-3900000000-c721b1fb2053acfcd008
Source of Spectrum K-106-3619-1
Wiley ID 1329574