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8-METHYLVALEPOTRIATE

View entire compound with spectra: 2 NMR

8-METHYLVALEPOTRIATE
SpectraBase Compound ID 4Z0ZPALjkzi
InChI InChI=1S/C27H34O9/c1-15(2)10-25(31)36-27-26-16(3)22(12-20(26)19(14-34-27)13-33-17(4)28)35-24(30)9-7-18-6-8-21(29)23(11-18)32-5/h6-9,11,14-16,20,22,26-27,29H,10,12-13H2,1-5H3/b9-7+/t16-,20+,22-,26+,27-/m0/s1
InChIKey HPVYPEBDUCIIHE-QRADTBFGSA-N
Mol Weight 502.6 g/mol
Molecular Formula C27H34O9
Exact Mass 502.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M4oUWzjXTF
Name 8-METHYLVALEPOTRIATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O9
InChI InChI=1S/C27H34O9/c1-15(2)10-25(31)36-27-26-16(3)22(12-20(26)19(14-34-27)13-33-17(4)28)35-24(30)9-7-18-6-8-21(29)23(11-18)32-5/h6-9,11,14-16,20,22,26-27,29H,10,12-13H2,1-5H3/b9-7+/t16-,20+,22-,26+,27-/m0/s1
InChIKey HPVYPEBDUCIIHE-QRADTBFGSA-N
Literature Reference Author R.WANG,D.XIAO,Y.H.BIAN,X.Y.ZHANG,B.J.LI,L.S.DING,S.L.PENG
Literature Reference Citation J.NAT.PROD.,71,1254(2008)
Literature Reference DOI 10.1021/np070598p
Molecular Weight 502.562 g/mol
Sample ID 28723
Solvent CDCl3