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ITOSIDE_N;APIGENIN-7-O-BETA-D-(4'',6''-PARA,PARA'-DIHYDROXY-MY-TRUXINYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 1rWDV6RrtAj
InChI InChI=1S/C39H32O14/c40-20-7-1-17(2-8-20)26-15-25(44)31-24(43)13-23(14-27(31)51-26)50-39-35(46)34(45)36-28(52-39)16-49-37(47)32-29(18-3-9-21(41)10-4-18)30(33(32)38(48)53-36)19-5-11-22(42)12-6-19/h1-15,28-30,32-36,39-43,45-46H,16H2/t28-,29-,30+,32+,33-,34-,35-,36-,39-/m1/s1
InChIKey FJUGWGGYGGSGCO-FAXYJIGKSA-N
Mol Weight 724.7 g/mol
Molecular Formula C39H32O14
Exact Mass 724.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZLh4hYR1Gr
Name ITOSIDE_N;APIGENIN-7-O-BETA-D-(4'',6''-PARA,PARA'-DIHYDROXY-MY-TRUXINYL)-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H32O14
InChI InChI=1S/C39H32O14/c40-20-7-1-17(2-8-20)26-15-25(44)31-24(43)13-23(14-27(31)51-26)50-39-35(46)34(45)36-28(52-39)16-49-37(47)32-29(18-3-9-21(41)10-4-18)30(33(32)38(48)53-36)19-5-11-22(42)12-6-19/h1-15,28-30,32-36,39-43,45-46H,16H2/t28-,29-,30+,32+,33-,34-,35-,36-,39-/m1/s1
InChIKey FJUGWGGYGGSGCO-FAXYJIGKSA-N
Literature Reference Author X.Y.CHAI,Y.L.SONG,Z.R.XU,H.M.SHI,C.C.BAI,D.BI,J.WEN,F.F.LI,P .F.TU
Literature Reference Citation J.NAT.PROD.,71,814(2008)
Literature Reference DOI 10.1021/np800014s
Molecular Weight 724.675 g/mol
Sample ID 28263
Solvent DMSO-D6