John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=11yXu5Fisl8

(accessed ).
DIGITOXIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]
SpectraBase Compound ID 11yXu5Fisl8
InChI InChI=1S/C42H66O17/c1-19-37(59-39-36(50)34(48)32(46)28(58-39)18-54-38-35(49)33(47)31(45)27(16-43)57-38)26(52-4)15-30(55-19)56-22-7-10-40(2)21(14-22)5-6-25-24(40)8-11-41(3)23(9-12-42(25,41)51)20-13-29(44)53-17-20/h13,19,21-28,30-39,43,45-51H,5-12,14-18H2,1-4H3/t19-,21-,22+,23-,24?,25?,26+,27+,28+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39-,40+,41-,42+/m1/s1
InChIKey ITKDSJDYFJAVTJ-VOJKPOSCSA-N
Mol Weight 843.0 g/mol
Molecular Formula C42H66O17
Exact Mass 842.430001 g/mol
Enantiomer InChIKey ITKDSJDYFJAVTJ-CNSUWIEFSA-N
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