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4S*,6S*-DIHYDROXY-6-(14'-NONADECENYL)-2-CYCLOHEXENONE
SpectraBase Compound ID 1gUttCqzXLD
InChI InChI=1S/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(28)22-23(26)19-20-24(25)27/h5-6,19-20,23,26,28H,2-4,7-18,21-22H2,1H3/b6-5-/t23-,25+/m1/s1
InChIKey DGMCGCCDEKLQFP-NMWNMPISSA-N
Mol Weight 392.6 g/mol
Molecular Formula C25H44O3
Exact Mass 392.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4dcvwlPYBa
Name 4S*,6S*-DIHYDROXY-6-(14'-NONADECENYL)-2-CYCLOHEXENONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44O3
InChI InChI=1S/C25H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(28)22-23(26)19-20-24(25)27/h5-6,19-20,23,26,28H,2-4,7-18,21-22H2,1H3/b6-5-/t23-,25+/m1/s1
InChIKey DGMCGCCDEKLQFP-NMWNMPISSA-N
Literature Reference Author S.D.J.CORREIRA,J.M.DAVID,J.P.DAVID,H.B.CHAI,J.M.PEZZUTO,G.A. CORDELL
Literature Reference Citation PHYTOCHEM.,56,781(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00476-3
Molecular Weight 392.623 g/mol
Solvent CDCl3
Source File Reference UWVN2046