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9-{{5'-(3'',3''-DIMETHYLOXIRANYL)-3'-METHYL-2'-PENTENYL]-OXY}-(E)-7-H-FURO-[3.2-G]-[1]-BENZOPYRAN-7-ONE
SpectraBase Compound ID Kewoeq7XjGt
InChI InChI=1S/C21H22O5/c1-13(4-6-16-21(2,3)26-16)8-10-24-20-18-15(9-11-23-18)12-14-5-7-17(22)25-19(14)20/h5,7-9,11-12,16H,4,6,10H2,1-3H3/b13-8+
InChIKey SJUMCSVMQWFUTR-MDWZMJQESA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfDN31YkKeN
Name 9-{{5'-(3'',3''-DIMETHYLOXIRANYL)-3'-METHYL-2'-PENTENYL]-OXY}-(E)-7-H-FURO-[3.2-G]-[1]-BENZOPYRAN-7-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-13(4-6-16-21(2,3)26-16)8-10-24-20-18-15(9-11-23-18)12-14-5-7-17(22)25-19(14)20/h5,7-9,11-12,16H,4,6,10H2,1-3H3/b13-8+
InChIKey SJUMCSVMQWFUTR-MDWZMJQESA-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 354.403 g/mol
Solvent CDCl3
Source File Reference UWMZ47565