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PROCTORIONE-C;4-HYDROXY-2-OCTADEC-(11-Z)-ENOYL-CYCLO-HEXANE-1,3-DIONE
SpectraBase Compound ID AQZtI6iNY6i
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h7-8,22,26-27H,2-6,9-19H2,1H3/b8-7-/t22-/m1/s1
InChIKey SVNNKIHPYLAFTH-KOIKXXGWSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEhZGuIe3zR
Name PROCTORIONE-C;4-HYDROXY-2-OCTADEC-(11-Z)-ENOYL-CYCLO-HEXANE-1,3-DIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h7-8,22,26-27H,2-6,9-19H2,1H3/b8-7-/t22-/m1/s1
InChIKey SVNNKIHPYLAFTH-KOIKXXGWSA-N
Literature Reference Author N.P.SEERAM,A.W.LEWIS,H.JACOBS,M.G.NAIR,S.MCLEAN,W.F.REYNOLDS
Literature Reference Citation J.NAT.PROD.,63,399(2000)
Literature Reference DOI 10.1021/np990447p
Molecular Weight 392.579 g/mol
Solvent CDCl3
Source File Reference UWRU1916