John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AQyVxzAvLfL SpectraBase Spectrum ID=4Qrj83bNUoo

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DIGITOXIGENIN-BETA-D-GLUCOSIDE-TETRAACETATE
SpectraBase Compound ID AQyVxzAvLfL
InChI InChI=1S/C37H52O13/c1-19(38)44-18-29-31(46-20(2)39)32(47-21(3)40)33(48-22(4)41)34(50-29)49-25-9-12-35(5)24(16-25)7-8-28-27(35)10-13-36(6)26(11-14-37(28,36)43)23-15-30(42)45-17-23/h15,24-29,31-34,43H,7-14,16-18H2,1-6H3/t24-,25+,26-,27+,28-,29-,31-,32+,33-,34-,35+,36-,37+/m1/s1
InChIKey JVPQSPMBCSUIQA-FGZFYBGNSA-N
Mol Weight 704.8 g/mol
Molecular Formula C37H52O13
Exact Mass 704.340792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qrj83bNUoo
Name DIGITOXIGENIN-BETA-D-GLUCOSIDE-TETRAACETATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52O13
InChI InChI=1S/C37H52O13/c1-19(38)44-18-29-31(46-20(2)39)32(47-21(3)40)33(48-22(4)41)34(50-29)49-25-9-12-35(5)24(16-25)7-8-28-27(35)10-13-36(6)26(11-14-37(28,36)43)23-15-30(42)45-17-23/h15,24-29,31-34,43H,7-14,16-18H2,1-6H3/t24-,25+,26-,27+,28-,29-,31-,32+,33-,34-,35+,36-,37+/m1/s1
InChIKey JVPQSPMBCSUIQA-FGZFYBGNSA-N
Literature Reference Author K.KAWAGUCHI,M.HIROTANI,T.FURUYA
Literature Reference Citation PHYTOCHEM.,27,3475(1988)
Literature Reference DOI 10.1016/0031-9422(88)80751-9
Molecular Weight 704.812 g/mol
Solvent CDCl3
Source File Reference UWBK1017
SpectraBase Batch ID 8jZmVYjEaTK