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EMPETRIFERDINAN_A;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-METHYLPROPAN-1-ONE

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EMPETRIFERDINAN_A;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-METHYLPROPAN-1-ONE
SpectraBase Compound ID 5ycQtEJNWJe
InChI InChI=1S/C20H28O4/c1-11(2)17(23)16-14(22)10-13(21)12-9-15-19(3,4)7-6-8-20(15,5)24-18(12)16/h10-11,15,21-22H,6-9H2,1-5H3/t15-,20-/m1/s1
InChIKey TXBJAQRFHBPTNC-FOIQADDNSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzkQhQkWxOF
Name EMPETRIFERDINAN_A;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-METHYLPROPAN-1-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-11(2)17(23)16-14(22)10-13(21)12-9-15-19(3,4)7-6-8-20(15,5)24-18(12)16/h10-11,15,21-22H,6-9H2,1-5H3/t15-,20-/m1/s1
InChIKey TXBJAQRFHBPTNC-FOIQADDNSA-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 332.440 g/mol
Sample ID 41495
Solvent CDCl3