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4,6,2'-TRIHYDROXY-6-[10'(Z)-HEPTADECENYL]-1-CYCLOHEXEN-2-ONE
SpectraBase Compound ID LBjD4miPZFB
InChI InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)18-23(27)19-21(25)16-17-22(23)26/h7-8,16-17,20-21,24-25,27H,2-6,9-15,18-19H2,1H3/b8-7-/t20?,21-,23-/m1/s1
InChIKey NPJCCEQGXKZBJM-HWAJHWBUSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G67Qj0vBdQU
Name 4,6,2'-TRIHYDROXY-6-[10'(Z)-HEPTADECENYL]-1-CYCLOHEXEN-2-ONE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)18-23(27)19-21(25)16-17-22(23)26/h7-8,16-17,20-21,24-25,27H,2-6,9-15,18-19H2,1H3/b8-7-/t20?,21-,23-/m1/s1
InChIKey NPJCCEQGXKZBJM-HWAJHWBUSA-N
Literature Reference Author V.ROUMY,N.FABRE,B.PORTET,G.BOURDY,L.ACEBEY,C.VIGOR,A.VALENTI N,C.MOULIS
Literature Reference Citation PHYTOCHEM.,70,305(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.10.003
Molecular Weight 380.568 g/mol
Sample ID 64556
Solvent DMSO-D6