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Bungeiquinone [5-Ethoxy-3-[(Z)-heptadecenyl]-2-hydroxy-2,5-cyclohexadiene-1,4-dione]
SpectraBase Compound ID 2hyzsb4vteb
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(25(21)28)29-4-2/h9-10,20,27H,3-8,11-19H2,1-2H3/b10-9-
InChIKey KQAGTBCNTGBUAD-KTKRTIGZSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfkobQPPVPb
Name BUNGEIQUINONE;5-ETHOXY-3-[(Z)-HEPTADECENYL]-2-HYDROXY-2,5-CYCLOHEXADIENE-1,4-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(25(21)28)29-4-2/h9-10,20,27H,3-8,11-19H2,1-2H3/b10-9-
InChIKey KQAGTBCNTGBUAD-KTKRTIGZSA-N
Literature Reference Author A.U.RAHMAN,M.I.CHOUDHARY,M.NUR-E-ALAM,P.O.NDOGNII,T.BADARCHI IN,G.PUREVSUREN
Literature Reference Citation CHEM.PHARM.BULL.,48,738(2000)
Literature Reference DOI 10.1248/cpb.48.738
Molecular Weight 404.590 g/mol
Solvent CDCl3
Source File Reference UWLU5142