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TRIJUGIN_H;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-HYDROXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
SpectraBase Compound ID 1yk98C5rH6C
InChI InChI=1S/C25H40O6/c1-9-16(5)23(27)29-19-13-15(4)11-10-12-25(8)22(31-25)21(20(19)14(2)3)30-24(28)17(6)18(7)26/h9,11,14,17-22,26H,10,12-13H2,1-8H3/b15-11+,16-9+/t17?,18?,19-,20+,21+,22-,25-/m1/s1
InChIKey BNAFRNFURNCJFK-HOXDXGLYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5nlOofeYeV
Name TRIJUGIN_H;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-HYDROXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-9-16(5)23(27)29-19-13-15(4)11-10-12-25(8)22(31-25)21(20(19)14(2)3)30-24(28)17(6)18(7)26/h9,11,14,17-22,26H,10,12-13H2,1-8H3/b15-11+,16-9+/t17?,18?,19-,20+,21+,22-,25-/m1/s1
InChIKey BNAFRNFURNCJFK-HOXDXGLYSA-N
Literature Reference Author Z.H.PAN,Y.Y.WANG,M.M.LI,G.XU,L.Y.PENG,J.HE,Y.ZHAO,Y.LI,Q.S.Z HAO
Literature Reference Citation J.NAT.PROD.,73,1146(2010)
Literature Reference DOI 10.1021/np100250w
Molecular Weight 436.589 g/mol
Sample ID 35728
Solvent CDCl3