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Digoxin
SpectraBase Compound ID GrZgMRFgr1g
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-/m1/s1
InChIKey LTMHDMANZUZIPE-VLUMUPAOSA-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 I3hiEGU4wNQ
Name DIGOXIN
Comments D
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-/m1/s1
InChIKey LTMHDMANZUZIPE-VLUMUPAOSA-N
Instrument Name Varian XL-200
Literature Reference P.DRASAR, V.POUZAR, I.CERNY, M.HAVEL, F.TURECEK, D.SCHMIEDOVA, K.VERES (1985)Coll.Czech.Chem.Comm.: v.50, N12, 2760-2774.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d