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carduusyne-E
SpectraBase Compound ID 7ymYrxdKxyB
InChI InChI=1S/C23H28O3/c1-2-3-4-13-16-19-22(24)20-17-14-11-9-7-5-6-8-10-12-15-18-21-23(25)26/h5-6,22,24H,2-3,7,9,11,14,17-18,20-21H2,1H3,(H,25,26)/b6-5+
InChIKey QGZIGGVDPDGDRQ-AATRIKPKSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LheFM68FN0P
Name carduusyne-E
Alternate Name(s) (E)-16-Hydroxy-tricos-8-ene-4,6,17,19-tetraynoic acid (E)-16-oxidanyltricos-8-en-4,6,17,19-tetraynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-2-3-4-13-16-19-22(24)20-17-14-11-9-7-5-6-8-10-12-15-18-21-23(25)26/h5-6,22,24H,2-3,7,9,11,14,17-18,20-21H2,1H3,(H,25,26)/b6-5+
InChIKey QGZIGGVDPDGDRQ-AATRIKPKSA-N
Molecular Weight 352.474 g/mol
SMILES OC(CCC#CC#C\C=C\CCCCCCC(C#CC#CCCC)O)=O
SPLASH splash10-0096-9501000000-9d47bfc445e735185ab8
Source of Spectrum B-47-1901-0
Wiley ID 1343652