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O-[3-(2,2-DIMETHYL-3-OXO-2H-FURAN-5-YL)-3-HYDROXYBUTYL]-BERGAPTOL
SpectraBase Compound ID HvOhfhgmb3C
InChI InChI=1S/C21H20O7/c1-20(2)16(22)11-17(28-20)21(3,24)7-9-26-19-12-4-5-18(23)27-15(12)10-14-13(19)6-8-25-14/h4-6,8,10-11,24H,7,9H2,1-3H3
InChIKey XMZIWYVGSYCTAV-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2LubNxPbkh
Name O-[3-(2,2-DIMETHYL-3-OXO-2H-FURAN-5-YL)-3-HYDROXYBUTYL]-BERGAPTOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-20(2)16(22)11-17(28-20)21(3,24)7-9-26-19-12-4-5-18(23)27-15(12)10-14-13(19)6-8-25-14/h4-6,8,10-11,24H,7,9H2,1-3H3
InChIKey XMZIWYVGSYCTAV-UHFFFAOYSA-N
Literature Reference Author B.M.ABEGAZ,B.T.NGADJUI,G.N.FOLEFOC,S.FOTSO,P.AMBASSA,M.BEZAB IH,E.DONGO,F.RISE,D.
Literature Reference Citation PHYTOCHEM.,65,221(2004)
Literature Reference DOI 10.1016/j.phytochem.2003.10.028
Molecular Weight 384.386 g/mol
Solvent CDCl3
Source File Reference UWVN31373