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TRIJUGIN_E;9,10-EPOXY-5-BETA-O-TIGLOYL-6-ALPHA-O-ACETYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
SpectraBase Compound ID 6APdCESt5e0
InChI InChI=1S/C29H44O9/c1-11-16(4)27(32)36-23-17(5)13-12-14-29(10)26(38-29)25(22(15(2)3)24(23)35-21(9)31)37-28(33)18(6)19(7)34-20(8)30/h11,13,15,18-19,22-26H,12,14H2,1-10H3/b16-11+,17-13+/t18?,19?,22-,23-,24-,25-,26+,29+/m0/s1
InChIKey UGQINDOPPLYQSM-FPIJADEJSA-N
Mol Weight 536.7 g/mol
Molecular Formula C29H44O9
Exact Mass 536.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Tveq9jwYL0
Name TRIJUGIN_E;9,10-EPOXY-5-BETA-O-TIGLOYL-6-ALPHA-O-ACETYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-ENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O9
InChI InChI=1S/C29H44O9/c1-11-16(4)27(32)36-23-17(5)13-12-14-29(10)26(38-29)25(22(15(2)3)24(23)35-21(9)31)37-28(33)18(6)19(7)34-20(8)30/h11,13,15,18-19,22-26H,12,14H2,1-10H3/b16-11+,17-13+/t18?,19?,22-,23-,24-,25-,26+,29+/m0/s1
InChIKey UGQINDOPPLYQSM-FPIJADEJSA-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 536.663 g/mol
Sample ID 35725
Solvent CDCl3