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NEGLIGNAN_E
SpectraBase Compound ID FQv6dYARxzW
InChI InChI=1S/C28H40O7/c1-15(2)14-35-24-17(4)16(3)11-18-12-20(29-5)25(31-7)27(33-9)22(18)23-19(24)13-21(30-6)26(32-8)28(23)34-10/h12-13,15-17,24H,11,14H2,1-10H3/t16-,17-,24+/m0/s1
InChIKey VLURTMXFQXKLON-WOGXIUBCSA-N
Mol Weight 488.6 g/mol
Molecular Formula C28H40O7
Exact Mass 488.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdWQ3mHuQXy
Name NEGLIGNAN_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O7
InChI InChI=1S/C28H40O7/c1-15(2)14-35-24-17(4)16(3)11-18-12-20(29-5)25(31-7)27(33-9)22(18)23-19(24)13-21(30-6)26(32-8)28(23)34-10/h12-13,15-17,24H,11,14H2,1-10H3/t16-,17-,24+/m0/s1
InChIKey VLURTMXFQXKLON-WOGXIUBCSA-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 488.621 g/mol
Sample ID 42609
Solvent CDCl3