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#7A+7B;(6R,7S,11S,2'S/2'R)-13-[4'-METHYL-3'-ENE-2'-OXY-GAMMA-BUTYROLACTONE]-4(15),10(14)-DIENE-GUAIANE-6-ALPHA,12-OLIDE;MIXTURE;MAJOR+MINOR-DIASTEREOMER
SpectraBase Compound ID 3Lt7ejK99C5
InChI InChI=1S/2C20H24O5/c2*1-10-4-7-14-15(9-23-16-8-12(3)19(21)24-16)20(22)25-18(14)17-11(2)5-6-13(10)17/h2*8,13-18H,1-2,4-7,9H2,3H3/t13-,14-,15+,16+,17-,18-;13-,14-,15+,16-,17-,18-/m00/s1
InChIKey KNLAYNICKCPAJY-UYOMYETCSA-N
Mol Weight 688.81 g/mol
Molecular Formula C40H48O10
Exact Mass 688.324748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARMDfiZznn3
Name #7A+7B;(6R,7S,11S,2'S/2'R)-13-[4'-METHYL-3'-ENE-2'-OXY-GAMMA-BUTYROLACTONE]-4(15),10(14)-DIENE-GUAIANE-6-ALPHA,12-OLIDE;MIXTURE;MAJOR+MINOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H48O10
InChI InChI=1S/2C20H24O5/c2*1-10-4-7-14-15(9-23-16-8-12(3)19(21)24-16)20(22)25-18(14)17-11(2)5-6-13(10)17/h2*8,13-18H,1-2,4-7,9H2,3H3/t13-,14-,15+,16+,17-,18-;13-,14-,15+,16-,17-,18-/m00/s1
InChIKey KNLAYNICKCPAJY-UYOMYETCSA-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 688.815 g/mol
Sample ID 68017
Solvent CDCl3