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Sakerine
SpectraBase Compound ID 720w40d36hs
InChI InChI=1S/C22H31NO5S/c1-17(2)6-5-7-18(3)11-14-28-21-9-8-19(16-20(21)24)10-13-23-22(25)12-15-29(4,26)27/h6,8-9,11-12,15-16,24H,5,7,10,13-14H2,1-4H3,(H,23,25)/b15-12+,18-11+
InChIKey UIQGUYKNKBPJPR-PUWVMBCZSA-N
Mol Weight 421.55 g/mol
Molecular Formula C22H31NO5S
Exact Mass 421.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VwC1sAjlRX
Name Sakerine
Alternate Name(s) (2E)-N-[2-(4-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-3-hydroxyphenyl)ethyl]-3-(methylsulfonyl)-2-propenamide N-[4'-(3'',7''-Dimethyl-2'',6''-octadienyloxy)-3'-hydroxyphenethyl]-3-(methylsulfonyl)propenamide
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Formula C22H31NO5S
InChI InChI=1S/C22H31NO5S/c1-17(2)6-5-7-18(3)11-14-28-21-9-8-19(16-20(21)24)10-13-23-22(25)12-15-29(4,26)27/h6,8-9,11-12,15-16,24H,5,7,10,13-14H2,1-4H3,(H,23,25)/b15-12+,18-11+
InChIKey UIQGUYKNKBPJPR-PUWVMBCZSA-N
Molecular Weight 421.552 g/mol
SMILES N(C(\C=C\S(=O)(=O)C)=O)CCc1cc(c(cc1)OC\C=C\(CCC=C(C)C)C)O
SPLASH splash10-00ko-9200000000-3b10c7190dcf3614231c
Source of Spectrum U-1995-1793-1
Wiley ID 767600