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17-ALPHA-DIGITOXIGENIN-BETA-D-APIOSYL-(1->6)-BETA-D-GLUCOSYL-(1->4)-ALPHA-L-THEVETOSIDE
SpectraBase Compound ID 6BC1C5nG4MT
InChI InChI=1S/C41H64O17/c1-19-32(58-35-30(46)29(45)28(44)26(57-35)16-53-37-34(48)40(49,17-42)18-54-37)33(51-4)31(47)36(55-19)56-22-7-10-38(2)21(14-22)5-6-25-24(38)8-11-39(3)23(9-12-41(25,39)50)20-13-27(43)52-15-20/h13,19,21-26,28-37,42,44-50H,5-12,14-18H2,1-4H3/t19-,21+,22-,23-,24-,25+,26-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-/m0/s1
InChIKey PIGKHGWUDBMAES-HDDOQFLESA-N
Mol Weight 828.9 g/mol
Molecular Formula C41H64O17
Exact Mass 828.414351 g/mol
Enantiomer InChIKey PIGKHGWUDBMAES-ZEJHSCSLSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5
Title Journal or Book Year
Studies on Cerbera. V. Minor glycosides of 17.ALPHA.-digitoxigenin from the stems of genus Cerbera. Chemical and Pharmaceutical Bulletin 1987

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