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DIGOXIGENIN_3-ACETATE
SpectraBase Compound ID LAug7RWgYrN
InChI InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey BRPTXGUNXVNFHJ-KCYBFLPASA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRY1x2mNJN5
Name 3-BETA-ACETOXY,12-BETA-HYDROXY-DIGOXIGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-21,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,21-,23+,24+,25+/m1/s1
InChIKey BRPTXGUNXVNFHJ-KCYBFLPASA-N
Literature Reference Author G.G.HABERMEHL,P.E.HAMMANN,V.WRAY
Literature Reference Citation MAGN.RES.CHEM.,23,959(1985)
Literature Reference DOI 10.1002/mrc.1260231115
Molecular Weight 432.557 g/mol
Solvent CDCl3
Source File Reference UNIW16742