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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 LTbWdag6L66
Name BERGAMOTTIN;5-GERANYLOXYPSORALEN
Compound Number 5
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 P.C.STEVENSON,M.S.J.SIMMONDS,M.A.YULE,N.C.VEITCH,G.C.KITE,D. IRWIN,M.LEGG
Literature Reference Citation PHYTOCHEM.,63,41(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00748-3
Molecular Weight 338.403 g/mol
Solvent CD3OD
Source File Reference UWLU29682