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3,6-BETA-DIHYDROXY-2-(13-PHENYLTRIDECANOYL)-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID 35gUBhXWK6p
InChI InChI=1S/C25H36O4/c26-21(24-22(27)18-19-23(28)25(24)29)17-13-8-6-4-2-1-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,23,27-28H,1-8,10,13-14,17-19H2/t23-/m0/s1
InChIKey AWQJCRIJWHZSBI-QHCPKHFHSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMgdhXnFH0l
Name 3,6-BETA-DIHYDROXY-2-(13-PHENYLTRIDECANOYL)-2-CYCLOHEXEN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c26-21(24-22(27)18-19-23(28)25(24)29)17-13-8-6-4-2-1-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,23,27-28H,1-8,10,13-14,17-19H2/t23-/m0/s1
InChIKey AWQJCRIJWHZSBI-QHCPKHFHSA-N
Literature Reference Author N.R.AZEVEDO,S.C.SANTOS,E.G.D.MIRANDA,P.H.FERRI
Literature Reference Citation PHYTOCHEM.,46,1375(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00503-7
Molecular Weight 400.558 g/mol
Sample ID 45737
Solvent CCl4