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TRIJUGIN_C;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-ACETYL-GERMACRA-3-(4)-E-EN-5-BETA-OL
SpectraBase Compound ID GGAnt2ag4tZ
InChI InChI=1S/C22H34O6/c1-8-13(4)21(25)27-18-16(12(2)3)19(26-15(6)23)20-22(7,28-20)11-9-10-14(5)17(18)24/h8,10,12,16-20,24H,9,11H2,1-7H3/b13-8+,14-10+/t16-,17-,18-,19-,20+,22+/m0/s1
InChIKey OBTMSZCOALAQMT-FYLTXEOHSA-N
Mol Weight 394.5 g/mol
Molecular Formula C22H34O6
Exact Mass 394.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGXKk4uVyA3
Name TRIJUGIN_C;9,10-EPOXY-6-ALPHA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-ACETYL-GERMACRA-3-(4)-E-EN-5-BETA-OL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O6
InChI InChI=1S/C22H34O6/c1-8-13(4)21(25)27-18-16(12(2)3)19(26-15(6)23)20-22(7,28-20)11-9-10-14(5)17(18)24/h8,10,12,16-20,24H,9,11H2,1-7H3/b13-8+,14-10+/t16-,17-,18-,19-,20+,22+/m0/s1
InChIKey OBTMSZCOALAQMT-FYLTXEOHSA-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 394.508 g/mol
Sample ID 35723
Solvent CDCl3