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acetic acid [(2R,3R,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[3-(4-hydroxy-3-methoxy-phenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-keto-chroman-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]tetrahydropyran-4-yl] ester

Compound with spectra: 2 NMR

acetic acid [(2R,3R,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[3-(4-hydroxy-3-methoxy-phenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-keto-chroman-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]tetrahydropyran-4-yl] ester
SpectraBase Compound ID 9BQi6uf9aW8
InChI InChI=1S/C39H40O19/c1-16(40)50-14-30-36(52-17(2)41)37(53-18(3)42)38(54-19(4)43)39(58-30)51-15-29-34(20-6-8-23(45)26(10-20)49-5)56-27-11-21(7-9-25(27)55-29)35-33(48)32(47)31-24(46)12-22(44)13-28(31)57-35/h6-13,29-30,33-39,44-46,48H,14-15H2,1-5H3/t29?,30-,33+,34?,35-,36-,37+,38-,39-/m1/s1
InChIKey QTYIWSAHSZUUFM-NYWCTXGVSA-N
Mol Weight 812.7 g/mol
Molecular Formula C39H40O19
Exact Mass 812.216379 g/mol
Enantiomer InChIKey QTYIWSAHSZUUFM-IYVRHLADSA-N

View Spectrum of acetic acid [(2R,3R,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[3-(4-hydroxy-3-methoxy-phenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-keto-chroman-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]tetrahydropyran-4-yl] ester

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of acetic acid [(2R,3R,4S,5R,6R)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[3-(4-hydroxy-3-methoxy-phenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-keto-chroman-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]tetrahydropyran-4-yl] ester

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
QTYIWSAHSZUUFM-IPFKEIRXSA-N
Title Journal or Book Year
Glycosylation of silybin Journal of the Chemical Society, Perkin Transactions 1 1997
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