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Sakerone
SpectraBase Compound ID KweL6L4fTLX
InChI InChI=1S/C22H29NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,8-9,12-13,15,25H,7,10-11,14H2,1-4H3,(H,23,26)/b12-9+,17-8+
InChIKey VDGPSERXPLNDDM-GMBHSJTJSA-N
Mol Weight 435.54 g/mol
Molecular Formula C22H29NO6S
Exact Mass 435.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19MavVO7Vzb
Name Sakerone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6S
InChI InChI=1S/C22H29NO6S/c1-16(2)13-19(24)14-17(3)8-11-29-21-6-5-18(15-20(21)25)7-10-23-22(26)9-12-30(4,27)28/h5-6,8-9,12-13,15,25H,7,10-11,14H2,1-4H3,(H,23,26)/b12-9+,17-8+
InChIKey VDGPSERXPLNDDM-GMBHSJTJSA-N
Molecular Weight 435.535 g/mol
SMILES N(C(\C=C\S(=O)(=O)C)=O)CCc1cc(c(cc1)OC\C=C\(CC(C=C(C)C)=O)C)O
SPLASH splash10-000i-9600000000-4b7c80cf5d8cabcfcee3
Source of Spectrum U-1995-1793-2
Synonyms (2E)-N-[2-(4-{[(2E)-3,7-dimethyl-5-oxo-2,6-octadienyl]oxy}-3-hydroxyphenyl)ethyl]-3-(methylsulfonyl)-2-propenamide N-[4'-(3'',7''-Dimethyl-5''-oxo-2'',6''-octadienyloxy)-3'-hydroxyphenethyl]-3-(methylsulfonyl)propenamide
Wiley ID 767599