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(7-S,8-S)-THREO-7,9,9'-TRIHYDROXY-3,3'-DIMETHOXY-8-O-4'-NEOLIGNAN-4-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JYrfAxYTcFr
InChI InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m0/s1
InChIKey VHHJRIJKJTYYIZ-SXBFFNLXSA-N
Mol Weight 540.6 g/mol
Molecular Formula C26H36O12
Exact Mass 540.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kWbApAa2fN
Name (7-S,8-S)-THREO-7,9,9'-TRIHYDROXY-3,3'-DIMETHOXY-8-O-4'-NEOLIGNAN-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 C26H36O12
InChI InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21-,22+,23-,24+,25-,26-/m0/s1
InChIKey VHHJRIJKJTYYIZ-SXBFFNLXSA-N
Literature Reference Author C.HUO,H.LIANG,Y.ZHAO,B.WANG,Q.ZHANG
Literature Reference Citation PHYTOCHEM.,69,788(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.08.022
Molecular Weight 540.565 g/mol
Sample ID 43346
Solvent DMSO-D6