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TRIJUGIN_D;9,10-EPOXY-5-BETA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-EN-6-ALPHA-OL
SpectraBase Compound ID EFFjZv1Uvu8
InChI InChI=1S/C27H42O8/c1-10-15(4)25(30)33-22-16(5)12-11-13-27(9)24(35-27)23(20(14(2)3)21(22)29)34-26(31)17(6)18(7)32-19(8)28/h10,12,14,17-18,20-24,29H,11,13H2,1-9H3/b15-10+,16-12+/t17?,18?,20-,21-,22-,23-,24+,27+/m0/s1
InChIKey AHQWGXKSDZXXSK-LKJODLPMSA-N
Mol Weight 494.6 g/mol
Molecular Formula C27H42O8
Exact Mass 494.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xNBKSo5yHb
Name TRIJUGIN_D;9,10-EPOXY-5-BETA-O-TIGLOYL-7-ALPHA-H-8-BETA-O-(3''-ACETOXY-2''-METHYLBUTYRYL)-GERMACRA-3-(4)-E-EN-6-ALPHA-OL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O8
InChI InChI=1S/C27H42O8/c1-10-15(4)25(30)33-22-16(5)12-11-13-27(9)24(35-27)23(20(14(2)3)21(22)29)34-26(31)17(6)18(7)32-19(8)28/h10,12,14,17-18,20-24,29H,11,13H2,1-9H3/b15-10+,16-12+/t17?,18?,20-,21-,22-,23-,24+,27+/m0/s1
InChIKey AHQWGXKSDZXXSK-LKJODLPMSA-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 494.626 g/mol
Sample ID 35724
Solvent CDCl3