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PARASITENONE;(4S,5S,6S)-5,6-EPOXY-4-HYDROXY-3-HYDROXYMETHYLCYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 7quqEyxBpee
InChI InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,5-8,10H,2H2/t5-,6+,7-/m0/s1
InChIKey RZGZRGXCPXHJFW-XVMARJQXSA-N
Mol Weight 156.14 g/mol
Molecular Formula C7H8O4
Exact Mass 156.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WK22sHJEOD
Name PARASITENONE;(4S,5S,6S)-5,6-EPOXY-4-HYDROXY-3-HYDROXYMETHYLCYCLOHEX-2-EN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8O4
InChI InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,5-8,10H,2H2/t5-,6+,7-/m0/s1
InChIKey RZGZRGXCPXHJFW-XVMARJQXSA-N
Literature Reference Author B.W.SON,J.S.CHOI,J.C.KIM,K.W.NAM,D.S.KIM,H.Y.CHUNG,J.S.KANG, H.D.CHOI
Literature Reference Citation J.NAT.PROD.,65,794(2002)
Literature Reference DOI 10.1021/np010450k
Molecular Weight 156.138 g/mol
Solvent DMSO-D6
Source File Reference UWSI4266