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4-DEMETHYL-TRAXILLASIDE;(8R,8'R)-4-HYDROXY-3,3',4-TRIMETHOXY-LIGNAN-9,9'-OLIDE-4'-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 2iNezFVhHm6
InChI InChI=1S/C27H34O12/c1-34-18-8-13(4-5-17(18)38-27-25(32)24(31)23(30)21(11-28)39-27)7-16-15(12-37-26(16)33)6-14-9-19(35-2)22(29)20(10-14)36-3/h4-5,8-10,15-16,21,23-25,27-32H,6-7,11-12H2,1-3H3/t15-,16+,21-,23-,24+,25-,27-/m0/s1
InChIKey NDOXNRJTLLYHPX-YWOSWRERSA-N
Mol Weight 550.6 g/mol
Molecular Formula C27H34O12
Exact Mass 550.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hJMzEHO75h
Name 4-DEMETHYL-TRAXILLASIDE;(8R,8'R)-4-HYDROXY-3,3',4-TRIMETHOXY-LIGNAN-9,9'-OLIDE-4'-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O12
InChI InChI=1S/C27H34O12/c1-34-18-8-13(4-5-17(18)38-27-25(32)24(31)23(30)21(11-28)39-27)7-16-15(12-37-26(16)33)6-14-9-19(35-2)22(29)20(10-14)36-3/h4-5,8-10,15-16,21,23-25,27-32H,6-7,11-12H2,1-3H3/t15-,16+,21-,23-,24+,25-,27-/m0/s1
InChIKey NDOXNRJTLLYHPX-YWOSWRERSA-N
Literature Reference Author X.T.LIU,Z.X.WANG,Y.YANG,L.WANG,R.F.SUN,Y.M.ZHAO,N.J.YU
Literature Reference Citation MOLECULES,19,11560(2014)
Literature Reference DOI 10.3390/molecules190811560
Molecular Weight 550.560 g/mol
Solvent DMSO-D6
Source File Reference UWIR15043