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NEGLIGNAN_C
SpectraBase Compound ID CccFPQMFR40
InChI InChI=1S/C22H22O8/c1-11(23)5-13-7-15-19(29-9-27-15)21(25-3)17(13)18-14(6-12(2)24)8-16-20(22(18)26-4)30-10-28-16/h7-8H,5-6,9-10H2,1-4H3
InChIKey VSTIJDYPLCUJNX-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEE9okFVEgM
Name NEGLIGNAN_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-11(23)5-13-7-15-19(29-9-27-15)21(25-3)17(13)18-14(6-12(2)24)8-16-20(22(18)26-4)30-10-28-16/h7-8H,5-6,9-10H2,1-4H3
InChIKey VSTIJDYPLCUJNX-UHFFFAOYSA-N
Literature Reference Author X.M.GAO,R.R.WANG,D.Y.NIU,C.Y.MENG,L.M.YANG,Y.T.ZHENG,G.Y.YAN G,Q.F.HU,H.D.SUN,W.L
Literature Reference Citation J.NAT.PROD.,76,1052(2013)
Literature Reference DOI 10.1021/np400070x
Molecular Weight 414.412 g/mol
Sample ID 42612
Solvent C5D5N