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TRIJUGIN_I;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
SpectraBase Compound ID PaSP3IjNBB
InChI InChI=1S/C27H42O7/c1-10-17(5)25(29)32-21-14-16(4)12-11-13-27(9)24(34-27)23(22(21)15(2)3)33-26(30)18(6)19(7)31-20(8)28/h10,12,15,18-19,21-24H,11,13-14H2,1-9H3/b16-12+,17-10+/t18?,19?,21-,22+,23+,24-,27-/m1/s1
InChIKey NAAYGGKVCGAQLJ-RUXUSZOMSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H42O7
Exact Mass 478.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bpNAGukNSP
Name TRIJUGIN_I;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O7
InChI InChI=1S/C27H42O7/c1-10-17(5)25(29)32-21-14-16(4)12-11-13-27(9)24(34-27)23(22(21)15(2)3)33-26(30)18(6)19(7)31-20(8)28/h10,12,15,18-19,21-24H,11,13-14H2,1-9H3/b16-12+,17-10+/t18?,19?,21-,22+,23+,24-,27-/m1/s1
InChIKey NAAYGGKVCGAQLJ-RUXUSZOMSA-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 478.626 g/mol
Sample ID 35729
Solvent CDCl3