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AKETRILIGNOSIDE-B;(7R,8R,8'S)-4,4',9-TRIHYDROXY-3,3',5,5'-TETRAMETHOXY-7,9'-EPOXY-LIGNAN-7'-ONE-9-O-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

AKETRILIGNOSIDE-B;(7R,8R,8'S)-4,4',9-TRIHYDROXY-3,3',5,5'-TETRAMETHOXY-7,9'-EPOXY-LIGNAN-7'-ONE-9-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DU059YXor1B
InChI InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)31)21(30)14-10-40-27(13-7-18(38-3)23(32)19(8-13)39-4)15(14)11-41-28-26(35)25(34)24(33)20(9-29)42-28/h5-8,14-15,20,24-29,31-35H,9-11H2,1-4H3/t14-,15-,20+,24+,25-,26+,27+,28+/m1/s1
InChIKey PGIMKLFKVKUCPJ-DWSXOTTFSA-N
Mol Weight 596.6 g/mol
Molecular Formula C28H36O14
Exact Mass 596.210506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EprW1UNwJTC
Name AKETRILIGNOSIDE-B;(7R,8R,8'S)-4,4',9-TRIHYDROXY-3,3',5,5'-TETRAMETHOXY-7,9'-EPOXY-LIGNAN-7'-ONE-9-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O14
InChI InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)31)21(30)14-10-40-27(13-7-18(38-3)23(32)19(8-13)39-4)15(14)11-41-28-26(35)25(34)24(33)20(9-29)42-28/h5-8,14-15,20,24-29,31-35H,9-11H2,1-4H3/t14-,15-,20+,24+,25-,26+,27+,28+/m1/s1
InChIKey PGIMKLFKVKUCPJ-DWSXOTTFSA-N
Literature Reference Author S.H.GUAN,J.M.XIA,Z.Q.LU,G.T.CHEN,B.H.JIANG,X.LIU,D.A.GUO
Literature Reference Citation MAGN.RES.CHEM.,46,186(2008)
Literature Reference DOI 10.1002/mrc.2152
Molecular Weight 596.585 g/mol
Solvent CD3OD
Source File Reference UWIR17431