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[3-acetyloxy-5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]phenyl] acetate
SpectraBase Compound ID 54Hk8ewXqMY
InChI InChI=1S/C27H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20-26(30-23(2)28)22-27(21-25)31-24(3)29/h5-6,8-9,11-12,20-22H,4,7,10,13-19H2,1-3H3/b6-5-,9-8-,12-11-
InChIKey VMEAWLAPCVPRBS-AGRJPVHOSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qdvbUx5wbR
Name [3-acetyloxy-5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]phenyl] acetate
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20-26(30-23(2)28)22-27(21-25)31-24(3)29/h5-6,8-9,11-12,20-22H,4,7,10,13-19H2,1-3H3/b6-5-,9-8-,12-11-
InChIKey VMEAWLAPCVPRBS-AGRJPVHOSA-N
Literature Reference Author C.JIMENEZ-ROMERO,D.TORRES-MENDOZA,L.D.U.GONZALEZ,E.ORTEGA-BA RRIA,K.L.MCPHAIL,W.H
Literature Reference Citation J.NAT.PROD.,70,1249(2007)
Literature Reference DOI 10.1021/np070081d
Molecular Weight 426.596 g/mol
Sample ID 31359
Solvent CDCl3