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(11E),(2'S)-13-(4'-METHYL-3'-ENE-2'-OXY-GAMMA-BUTYROLACTONE)-4(15),10(14),11(13)-TRIENE-GUAIANE-6-ALPHA,12-OLIDE
SpectraBase Compound ID 1jt2ojUTWFe
InChI InChI=1S/C20H22O5/c1-10-4-7-14-15(9-23-16-8-12(3)19(21)24-16)20(22)25-18(14)17-11(2)5-6-13(10)17/h8-9,13-14,16-18H,1-2,4-7H2,3H3/b15-9+/t13-,14-,16-,17-,18-/m0/s1
InChIKey KTRKNPTVIOKJGA-ZMKNNRJOSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrygcYD5DWB
Name (11E),(2'S)-13-(4'-METHYL-3'-ENE-2'-OXY-GAMMA-BUTYROLACTONE)-4(15),10(14),11(13)-TRIENE-GUAIANE-6-ALPHA,12-OLIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-10-4-7-14-15(9-23-16-8-12(3)19(21)24-16)20(22)25-18(14)17-11(2)5-6-13(10)17/h8-9,13-14,16-18H,1-2,4-7H2,3H3/b15-9+/t13-,14-,16-,17-,18-/m0/s1
InChIKey KTRKNPTVIOKJGA-ZMKNNRJOSA-N
Literature Reference Author F.A.MACIAS,M.D.GARCIA-DIAZ,A.PEREZ-DE-LUQUE,D.RUBIALES,J.C.G .GALINDO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,5853(2009)
Literature Reference DOI 10.1021/jf900870j
Molecular Weight 342.392 g/mol
Sample ID 68023
Solvent CDCl3