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

View entire compound with spectra: 1 NMR

EMPETRIFERDINOL;1-[(2-R*,4A-R*,9A-R*)--2,6,8-TRIHYDROXY-1,1,4A-TRIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1-H-XANTHEN-5-YL]-2-METHYLBUTAN-1-ONE
SpectraBase Compound ID Hew0qYcPOHu
InChI InChI=1S/C21H30O5/c1-6-11(2)18(25)17-14(23)10-13(22)12-9-15-20(3,4)16(24)7-8-21(15,5)26-19(12)17/h10-11,15-16,22-24H,6-9H2,1-5H3/t11?,15-,16-,21-/m1/s1
InChIKey CQKLJJCVXBOQJX-WLLLBLRDSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45uUsFQh1En
Name EMPETRIFERDINOL;1-[(2-R*,4A-R*,9A-R*)--2,6,8-TRIHYDROXY-1,1,4A-TRIMETHYL-2,3,4,4A,9,9A-HEXAHYDRO-1-H-XANTHEN-5-YL]-2-METHYLBUTAN-1-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-6-11(2)18(25)17-14(23)10-13(22)12-9-15-20(3,4)16(24)7-8-21(15,5)26-19(12)17/h10-11,15-16,22-24H,6-9H2,1-5H3/t11?,15-,16-,21-/m1/s1
InChIKey CQKLJJCVXBOQJX-WLLLBLRDSA-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 362.466 g/mol
Sample ID 41497
Solvent CDCl3