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Bergamottin
SpectraBase Compound ID FOnv0gYbJSY
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YhisvqGLRj
Name BERGAMOTTIN;4-{[(2'-E)-3',7'-DIMETHYL-2',6'-OCTADIENYL]-OXY}-7-H-FURO-[3.2-G]-[1]-BENZOPYRAN-7-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Literature Reference Author M.ADAMS,S.ETTL,O.KUNERT,A.A.WUBE,E.HASLINGER,F.BUCAR,R.BAUER
Literature Reference Citation PLANTA.MED.,72,1132(2006)
Literature Reference DOI 10.1055/s-2006-947239
Molecular Weight 338.403 g/mol
Solvent CDCl3
Source File Reference UWMZ47568