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(11S,16S,Z)-11,16-DIHYDROXYOCTADECA-9,17-DIEN-12,14-DIYNYL-ACETATE
SpectraBase Compound ID 3FCCfHZQyyI
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-/t19-,20-/m0/s1
InChIKey VVURZXYIXNNJCG-HAGSVXFXSA-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 5pkooTMkZg8
Name C(18)-Acetylen falcarindiol
Alternate Name(s) (11S,16S,Z)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate
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-/t19-,20-/m0/s1
InChIKey VVURZXYIXNNJCG-HAGSVXFXSA-N
Literature Reference DOI 10.1002/jccs.200200067
Molecular Weight 332.440 g/mol
SMILES O[C@](C#CC#C[C@](\C=C/CCCCCCCCOC(C)=O)(O)[H])(C=C)[H]
SPLASH splash10-0a59-9901000000-027ddcc470abe484d676
Source of Spectrum QA-49-429-2
Wiley ID 1795647