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NEGLIGNAN_D
SpectraBase Compound ID KpPzaa1U0gW
InChI InChI=1S/C22H26O8/c1-11(23)7-13-9-15(27-3)21(29-5)19(25)17(13)18-14(8-12(2)24)10-16(28-4)22(30-6)20(18)26/h9-10,25-26H,7-8H2,1-6H3
InChIKey UJBPQMDXFRCLOJ-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6c7cuZq0oyT
Name NEGLIGNAN_D
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-11(23)7-13-9-15(27-3)21(29-5)19(25)17(13)18-14(8-12(2)24)10-16(28-4)22(30-6)20(18)26/h9-10,25-26H,7-8H2,1-6H3
InChIKey UJBPQMDXFRCLOJ-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 418.444 g/mol
Sample ID 42613
Solvent C5D5N