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4-[(E)-5-(2,5-dihydroxyphenyl)-3-methyl-pent-3-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID 8o3MHGZdpmm
InChI InChI=1S/C21H28O3/c1-14(5-7-16-12-17(22)8-10-20(16)24)6-9-19-15(2)11-18(23)13-21(19,3)4/h5,8,10-12,19,22,24H,6-7,9,13H2,1-4H3/b14-5+
InChIKey IAJLWFBMALYGIU-LHHJGKSTSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tIXlPvKdxY
Name 4-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-14(5-7-16-12-17(22)8-10-20(16)24)6-9-19-15(2)11-18(23)13-21(19,3)4/h5,8,10-12,19,22,24H,6-7,9,13H2,1-4H3/b14-5+
InChIKey IAJLWFBMALYGIU-LHHJGKSTSA-N
Literature Reference Author M.JASPARS,P.A.HORTON,L.H.MADRID,P.CREWS
Literature Reference Citation J.NAT.PROD.,58,609(1995)
Literature Reference DOI 10.1021/np50118a023
Molecular Weight 328.452 g/mol
Solvent CD3OD
Source File Reference UWSK2265