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Digoxin
SpectraBase Compound ID GjWPc9Ai47f
InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21-,23?,24?,25?,26?,27?,28+,29-,30+,31?,33-,34+,35+,36-,37+,38-,39?,40?,41?/m0/s1
InChIKey LTMHDMANZUZIPE-LZDJZHBQSA-N
Mol Weight 780.9 g/mol
Molecular Formula C41H64O14
Exact Mass 780.429607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1euaKYmRqs
Name Digoxin
CAS Registry Number 20830-75-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C41H64O14
InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21-,23?,24?,25?,26?,27?,28+,29-,30+,31?,33-,34+,35+,36-,37+,38-,39?,40?,41?/m0/s1
InChIKey LTMHDMANZUZIPE-LZDJZHBQSA-N
Instrument Name Varian CFT-20
Literature Reference L. Brown, H.T. Cheung, R. Thomas, J. Chem. Soc. Perkin I 1779 (1981).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6