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3,6-DIHYDROXY-2-[1-OXO-9(Z)-OCTADECENYL]-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 52UXAQ7T0jc
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/h9-10,22,26-27H,2-8,11-19H2,1H3/b10-9-
InChIKey LSEQAQUGTOSOEB-KTKRTIGZSA-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 8HULSamP3Tq
Name 3,6-DIHYDROXY-2-[1-OXO-9(Z)-OCTADECENYL]-CYCLOHEX-2-EN-1-ONE
Compound Number 2
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/h9-10,22,26-27H,2-8,11-19H2,1H3/b10-9-
InChIKey LSEQAQUGTOSOEB-KTKRTIGZSA-N
Literature Reference Author W.R.LUSBY,J.E.OLIVER,J.W.JR.NEAL,R.R.HEATH
Literature Reference Citation J.NAT.PROD.,50,1126(1987)
Literature Reference DOI 10.1021/np50054a019
Molecular Weight 392.579 g/mol
Solvent CDCl3
Source File Reference UWCS3061