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TRAXILLAGENIN;2-[(4''-HYDROXY-3''-METHOXY)-BENZYL]-3-[(3',4',5'-TRIMETHOXY)-BENZYL]-BUTYROLACTONE
SpectraBase Compound ID C3I1VgnqOaF
InChI InChI=1S/C22H26O7/c1-25-18-9-13(5-6-17(18)23)8-16-15(12-29-22(16)24)7-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1
InChIKey DRHBSAJKORZXET-JKSUJKDBSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cy82WzHWNjY
Name TRAXILLAGENIN;2-[(4''-HYDROXY-3''-METHOXY)-BENZYL]-3-[(3',4',5'-TRIMETHOXY)-BENZYL]-BUTYROLACTONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-25-18-9-13(5-6-17(18)23)8-16-15(12-29-22(16)24)7-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1
InChIKey DRHBSAJKORZXET-JKSUJKDBSA-N
Literature Reference Author S.NISHIBE,T.FUJIMOTO,M.NOSE,T.TAKEDA,Y.OGIHARA,G.XU
Literature Reference Citation PHYTOCHEM.,32,1579(1993)
Literature Reference DOI 10.1016/0031-9422(93)85183-R
Molecular Weight 402.444 g/mol
Solvent CDCl3
Source File Reference UWLU6670