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EPIPLAKINIC_ACID_F_METHYLESTER;METHYL-(3-S,5-R,14-E,18-E)-3,5-DIMETHYL-3,5-PEROXYENEICOSA-14,16,18-TRIENOATE
SpectraBase Compound ID 5FnK9irBBQK
InChI InChI=1S/C24H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)21-24(3,28-27-23)20-22(25)26-4/h6-11H,5,12-21H2,1-4H3/b7-6+,9-8+,11-10+/t23-,24-/m1/s1
InChIKey KQFXTDFWOPMDIE-MWCMNJBHSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0947tm98Nq
Name EPIPLAKINIC_ACID_F_METHYLESTER;METHYL-(3-S,5-R,14-E,18-E)-3,5-DIMETHYL-3,5-PEROXYENEICOSA-14,16,18-TRIENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)21-24(3,28-27-23)20-22(25)26-4/h6-11H,5,12-21H2,1-4H3/b7-6+,9-8+,11-10+/t23-,24-/m1/s1
InChIKey KQFXTDFWOPMDIE-MWCMNJBHSA-N
Literature Reference Author C.JIMENEZ-ROMERO,I.ORTIZ,J.VICENTE,B.VERAMA.D.RODRIGUEZ,S.NA M,R.JOVE
Literature Reference Citation J.NAT.PROD.,73,1694(2010)
Literature Reference DOI 10.1021/np100461t
Molecular Weight 392.579 g/mol
Sample ID 36052
Solvent CDCl3