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ZEYLENONE
SpectraBase Compound ID KFZtXB9R2ef
InChI InChI=1S/C21H18O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16,18,23,26H,13H2/t16-,18+,21-/m1/s1
InChIKey UUNZIGRBVXAOSR-PLMTUMEDSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28ci63rqPvf
Name [(1S,5R,6S)-5-(BENZOYLOXY)-1,6-DIHYDROXY-2-OXOCYCLOHEX-3-ENYL]-METHYL-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O7
InChI InChI=1S/C21H18O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16,18,23,26H,13H2/t16-,18+,21-/m1/s1
InChIKey UUNZIGRBVXAOSR-PLMTUMEDSA-N
Literature Reference Author Y.ZHANG,A.LIU,Z.G.YE,J.LIN,L.Z.XU,S.L.YANG
Literature Reference Citation CHEM.PHARM.BULL.,54,1459(2006)
Literature Reference DOI 10.1248/cpb.54.1459
Molecular Weight 382.370 g/mol
Sample ID 55309
Solvent CDCl3