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(-)-(7-R,8-S)-4,7,9,3',9'-PENTAHYROXY-3-METHOXY-8-4'-OXYNEOLIGNAN-3'-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Jkflk4RxSHQ
InChI InChI=1S/C25H34O12/c1-34-17-10-14(5-6-15(17)29)21(30)19(11-27)35-16-7-4-13(3-2-8-26)9-18(16)36-25-24(33)23(32)22(31)20(12-28)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24+,25+/m0/s1
InChIKey XFMPEFQVKDOPPT-DMYSGBLDSA-N
Mol Weight 526.5 g/mol
Molecular Formula C25H34O12
Exact Mass 526.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmVpjkcT3m7
Name (-)-(7-R,8-S)-4,7,9,3',9'-PENTAHYROXY-3-METHOXY-8-4'-OXYNEOLIGNAN-3'-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O12
InChI InChI=1S/C25H34O12/c1-34-17-10-14(5-6-15(17)29)21(30)19(11-27)35-16-7-4-13(3-2-8-26)9-18(16)36-25-24(33)23(32)22(31)20(12-28)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3/t19-,20+,21-,22+,23-,24+,25+/m0/s1
InChIKey XFMPEFQVKDOPPT-DMYSGBLDSA-N
Literature Reference Author M.GAN,Y.ZHANG,S.LIN,M.LIU,W.SONG,J.ZI,Y.YANG,X.FAN,J.SHI,J.H U,J.SUN,N.CHEN
Literature Reference Citation J.NAT.PROD.,71,647(2008)
Literature Reference DOI 10.1021/np7007329
Molecular Weight 526.538 g/mol
Sample ID 27668
Solvent DMSO-D6