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(E)-4-[(1'R,4'S,6'R)-1',4'-DIHYDROXY-2',2',6'-TRIMETHYLCYClOHEXYL)-3-BUTEN-2-ONE;(-)-EPIBOSCIALIN

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(E)-4-[(1'R,4'S,6'R)-1',4'-DIHYDROXY-2',2',6'-TRIMETHYLCYClOHEXYL)-3-BUTEN-2-ONE;(-)-EPIBOSCIALIN
SpectraBase Compound ID aoB03V3h2y
InChI InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13+/m1/s1
InChIKey CWLKAPCFJXJCEO-FKAWOFAZSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ee0JZZWduh
Name (E)-4-[(1'R,4'S,6'R)-1',4'-DIHYDROXY-2',2',6'-TRIMETHYLCYClOHEXYL)-3-BUTEN-2-ONE;(-)-EPIBOSCIALIN
Compound Number -(-)-16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13+/m1/s1
InChIKey CWLKAPCFJXJCEO-FKAWOFAZSA-N
Literature Reference Author J.BUSCH,Y.GRETHER,D.OCHS,U.SEQUIN
Literature Reference Citation J.NAT.PROD.,61,591(1998)
Literature Reference DOI 10.1021/np970517x
Molecular Weight 226.316 g/mol
Solvent CDCl3
Source File Reference UWMZ426