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#3;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-(2'R,3'S)-ISOLEUCINALDEHYDE;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-[(1'R,2'S)-1-FORMYL-2-METHYL-BUTYL]-AMIDE;MAJOR-IS

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#3;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-(2'R,3'S)-ISOLEUCINALDEHYDE;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-[(1'R,2'S)-1-FORMYL-2-METHYL-BUTYL]-AMIDE;MAJOR-IS
SpectraBase Compound ID Hmui4MTAtRl
InChI InChI=1S/C13H21NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-10,12H,6H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1
InChIKey GQAGJBDOVWXYQZ-SAUXFKQKSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlGImCKvr2v
Name #3;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-(2'S,3'S)-ISOLEUCINALDEHYDE;(2E,4E)-2-METHYL-HEXA-2,4-DIENOIC-ACID-[(1'S,2'S)-1-FORMYL-2-METHYL-BUTYL]-AMIDE;MINOR-IS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-10,12H,6H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1
InChIKey GQAGJBDOVWXYQZ-SAUXFKQKSA-N
Literature Reference Author G.L.GALLARDO,M.BUTLER,M.L.GALLO,M.A.RODRIGUEZ,M.N.EBERLIN,G. M.CABRERA
Literature Reference Citation PHYTOCHEM.,67,2403(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.07.028
Molecular Weight 223.315 g/mol
Sample ID 67104
Solvent CDCl3