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FORNICIN_C;2-(4,8-DIMETHYL-3,7-NONADIENYL)-3-GENTISOYLPROPANOIC_ACID
SpectraBase Compound ID IPSaZftBW0O
InChI InChI=1S/C21H28O5/c1-14(2)6-4-7-15(3)8-5-9-16(21(25)26)12-20(24)18-13-17(22)10-11-19(18)23/h6,8,10-11,13,16,22-23H,4-5,7,9,12H2,1-3H3,(H,25,26)/b15-8+
InChIKey PNXHXPQJFNVWQM-OVCLIPMQSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyaPSxKUEvy
Name FORNICIN_C;2-(4,8-DIMETHYL-3,7-NONADIENYL)-3-GENTISOYLPROPANOIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-14(2)6-4-7-15(3)8-5-9-16(21(25)26)12-20(24)18-13-17(22)10-11-19(18)23/h6,8,10-11,13,16,22-23H,4-5,7,9,12H2,1-3H3,(H,25,26)/b15-8+
InChIKey PNXHXPQJFNVWQM-OVCLIPMQSA-N
Literature Reference Author X.M.NIU,S.H.LI,H.D.SUN,C.T.CHE
Literature Reference Citation J.NAT.PROD.,69,1364(2006)
Literature Reference DOI 10.1021/np060218k
Molecular Weight 360.450 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15714