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EMPETRIFERDINAN_B;1-[(4A-R*,9A-R*)-6,8-DIHYDROXY-1,1,4A-TRIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1-H-XANTHEN-5-YL]-2-METHYLBUTAN-1-ONE

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EMPETRIFERDINAN_B;1-[(4A-R*,9A-R*)-6,8-DIHYDROXY-1,1,4A-TRIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1-H-XANTHEN-5-YL]-2-METHYLBUTAN-1-ONE
SpectraBase Compound ID 9AJN837jViF
InChI InChI=1S/C21H30O4/c1-6-12(2)18(24)17-15(23)11-14(22)13-10-16-20(3,4)8-7-9-21(16,5)25-19(13)17/h11-12,16,22-23H,6-10H2,1-5H3/t12?,16-,21-/m1/s1
InChIKey OHOUGQQSZUNTBK-DMXAWCJTSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KICqFDChX9J
Name EMPETRIFERDINAN_B;1-[(4A-R*,9A-R*)-6,8-DIHYDROXY-1,1,4A-TRIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1-H-XANTHEN-5-YL]-2-METHYLBUTAN-1-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-6-12(2)18(24)17-15(23)11-14(22)13-10-16-20(3,4)8-7-9-21(16,5)25-19(13)17/h11-12,16,22-23H,6-10H2,1-5H3/t12?,16-,21-/m1/s1
InChIKey OHOUGQQSZUNTBK-DMXAWCJTSA-N
Literature Reference Author S.SCHMIDT,G.JUERGENLIEMK,T.J.SCHMIDT,H.SKALTSA,J.HEILMANN
Literature Reference Citation J.NAT.PROD.,75,1697(2012)
Literature Reference DOI 10.1021/np300237n
Molecular Weight 346.467 g/mol
Sample ID 41496
Solvent CDCl3