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TRAXILLASIDE;2-[(4''-HYDROXY-3''-METHOXY-4''-O-BETA-D-GLUCOPYRANOSIDE)-BENZYL]-3-[(3',4',5'-TRIMETHOXY)-BENZYL]-BUTYROLACTONE
SpectraBase Compound ID HTWdfTXl3ec
InChI InChI=1S/C28H36O12/c1-34-19-9-14(5-6-18(19)39-28-25(32)24(31)23(30)22(12-29)40-28)8-17-16(13-38-27(17)33)7-15-10-20(35-2)26(37-4)21(11-15)36-3/h5-6,9-11,16-17,22-25,28-32H,7-8,12-13H2,1-4H3/t16-,17+,22-,23-,24+,25-,28-/m0/s1
InChIKey IPSLAOALYPCJBD-UBCMYKKVSA-N
Mol Weight 564.6 g/mol
Molecular Formula C28H36O12
Exact Mass 564.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fhEKLqKgcy
Name TRAXILLASIDE;2-[(4''-HYDROXY-3''-METHOXY-4''-O-BETA-D-GLUCOPYRANOSIDE)-BENZYL]-3-[(3',4',5'-TRIMETHOXY)-BENZYL]-BUTYROLACTONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O12
InChI InChI=1S/C28H36O12/c1-34-19-9-14(5-6-18(19)39-28-25(32)24(31)23(30)22(12-29)40-28)8-17-16(13-38-27(17)33)7-15-10-20(35-2)26(37-4)21(11-15)36-3/h5-6,9-11,16-17,22-25,28-32H,7-8,12-13H2,1-4H3/t16-,17+,22-,23-,24+,25-,28-/m0/s1
InChIKey IPSLAOALYPCJBD-UBCMYKKVSA-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 564.587 g/mol
Solvent CDCl3
Source File Reference UWLU6672