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[3-acetyloxy-5-[(8Z,11Z)-heptadeca-8,11-dienyl]phenyl] acetate

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[3-acetyloxy-5-[(8Z,11Z)-heptadeca-8,11-dienyl]phenyl] acetate
SpectraBase Compound ID 8akBQeDVlBA
InChI InChI=1S/C27H40O4/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/h8-9,11-12,20-22H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-
InChIKey WXVTZFAQKBGMLT-MURFETPASA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4v5a0oVepYw
Name [3-acetyloxy-5-[(8Z,11Z)-heptadeca-8,11-dienyl]phenyl] acetate
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/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/h8-9,11-12,20-22H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-
InChIKey WXVTZFAQKBGMLT-MURFETPASA-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 428.612 g/mol
Sample ID 31358
Solvent CDCl3