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3-HYDROXY-1-(15-PHENYLPENTADECANOYL)-2,6-CYCLOHEXANEDIONE
SpectraBase Compound ID 587NRh5vbWL
InChI InChI=1S/C27H40O4/c28-23(26-24(29)20-21-25(30)27(26)31)19-15-10-8-6-4-2-1-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,25,29-30H,1-10,12,15-16,19-21H2
InChIKey OPBCNSVNRHISNZ-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aoo7LKJ76Bn
Name 3-HYDROXY-1-(15-PHENYLPENTADECANOYL)-2,6-CYCLOHEXANEDIONE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c28-23(26-24(29)20-21-25(30)27(26)31)19-15-10-8-6-4-2-1-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,25,29-30H,1-10,12,15-16,19-21H2
InChIKey OPBCNSVNRHISNZ-UHFFFAOYSA-N
Literature Reference Author E.E.D.A.BLUMENTHAL,M.S.D.SILVA,M.YOSHIDA
Literature Reference Citation PHYTOCHEM.,46,745(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00199-4
Molecular Weight 428.612 g/mol
Sample ID 40689
Solvent CDCl3