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2.alpha.,6.alpha.-dihydroxy-5-[(E)-3'-hydroxy-3'-methyl-1'-butenyl]-6-methyl-4-cyclohexen-3-one
SpectraBase Compound ID HZo62aguujJ
InChI InChI=1S/C12H18O4/c1-11(2,15)5-4-8-6-9(13)10(14)7-12(8,3)16/h4-6,10,14-16H,7H2,1-3H3/b5-4+/t10-,12+/m0/s1
InChIKey CGPARFHPJHOJGS-KOBKQOIESA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4b4lkPgSCSy
Name 2-ALPHA,6-ALPHA-DIHYDROXY-5-[(E)-3'-HYDROXY-3'-METHYL-1'-BUTENYL]-6-METHYL-4-CYCLOHEXEN-3-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-11(2,15)5-4-8-6-9(13)10(14)7-12(8,3)16/h4-6,10,14-16H,7H2,1-3H3/b5-4+/t10-,12+/m0/s1
InChIKey CGPARFHPJHOJGS-KOBKQOIESA-N
Literature Reference Author A.U.REHMAN,A.MALIK,N.RIAZ,H.R.NAWAZ,H.AHMAD,S.A.NAWAZ,M.I.CH OUDHARY
Literature Reference Citation J.NAT.PROD.,67,1450(2004)
Literature Reference DOI 10.1021/np030494o
Molecular Weight 226.273 g/mol
Solvent CD3OD
Source File Reference UWMZ7523