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

Compound with spectra: 1 NMR, and 2 MS (GC)

(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
Enantiomer InChIKey CWLKAPCFJXJCEO-WWTVHFDRSA-N

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

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum X3-59-72-1

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

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-61-595-16

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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (E)-4-[(1R,4S,6R)-1,4-dihydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one
(E)-4-[(1'S,4'R,6'S)-1',4'-DIHYDROXY-2',2',6'-TRIMETHYLCYClOHEXYL)-3-BUTEN-2-ONE;(+)-EPIBOSCIALIN
CWLKAPCFJXJCEO-SGEPYOGPSA-N
BOSCIALIN,(E)-4-[(1'R,4'R,6'S)-1',4'-DIHYDROXY-2',2',6'-TRIMETHYLCYCLOHEXYL]-BUT-3-ENE-2-ONE
Boscialin
(6R, 6'r)-capsorubol
2-(ADAMANTYLIDENEMETHYL)-2-ADAMANTOL
Cyclopentanone, 2-acetyl-3,3-dimethyl-2-(3-oxo-1-butenyl)-, (E)-
2-exo-Allyl-3,3-dimethyl-bicyclo(2.2.1)heptan-2-endo-ol
Bicyclo[2.2.1]heptan-2-ol, 3,3-dimethyl-2-(2-propenyl)-, (1S-endo)-
(3E)-4-(1,3,3-Trimethylbicyclo[4.1.0]hept-2-yl)-3-buten-2-one
Title Journal or Book Year
Total Synthesis and Biological Activities of (+)- and (−)-Boscialin and Their 1‘-Epimers Journal of Natural Products 1998
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