John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=K2UfQxL84SV SpectraBase Spectrum ID=28EQwa4lq5P

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TRIJUGIN-D;8-O-ACETYL-TRIJUGIN-C
SpectraBase Compound ID K2UfQxL84SV
InChI InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3/t16-,17+,18-,20-,21-,25-,26+,27-,28+/m0/s1
InChIKey KCUDJAHQSKFKLX-WACAFCOXSA-N
Mol Weight 544.6 g/mol
Molecular Formula C28H32O11
Exact Mass 544.194462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28EQwa4lq5P
Name TRIJUGIN-D;8-O-ACETYL-TRIJUGIN-C
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32O11
InChI InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3/t16-,17+,18-,20-,21-,25-,26+,27-,28+/m0/s1
InChIKey KCUDJAHQSKFKLX-WACAFCOXSA-N
Literature Reference Author X.N.WANG,C.Q.FAN,S.YIN,L.S.GAN,J.M.YUE
Literature Reference Citation PHYTOCHEM.,69,1319(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.01.018
Molecular Weight 544.555 g/mol
Sample ID 44021
Solvent CDCl3
SpectraBase Batch ID IUVHoJk6OzK