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Digoxigenin

View entire compound with spectra: 9 NMR, 3 FTIR, 1 UV-Vis, and 1 MS (GC)

Digoxigenin
SpectraBase Compound ID C61SRJJyarz
InChI InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKey SHIBSTMRCDJXLN-KCZCNTNESA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4AKKO1GSPRJ
Name 3β,12β,14-trihydroxy-5β-card-20(22)-enolide
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKey SHIBSTMRCDJXLN-KCZCNTNESA-N
Melting Point 205-210C
Molecular Weight 390.52
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms DIGOXIGENIN 5B-CARD-20/22/-ENOLIDE, 3B,12B,14-TRIHYDROXY-,