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Digitoxigenin

Compound with spectra: 18 NMR, 1 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

Digitoxigenin
SpectraBase Compound ID FEoSdhHhS4j
InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
InChIKey XZTUSOXSLKTKJQ-CESUGQOBSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol
Enantiomer InChIKey XZTUSOXSLKTKJQ-MHFUIECGSA-N

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MS (GC) Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences

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1H NMR Spectrum
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Polysol; Reference=TMS; Temperature 297K

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D103209
Solvent CDCl3 & DMSO-d6

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Catalog Number D 541
Technique KBr WAFER

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UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3:CH3OH

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD=3:2

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D103209
Solvent CDCl3 & DMSO-d6

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number D103209
  • 3β,14-dihydroxy-5β-card-20(22)-enolide
  • 17-BETA-(2',5'-DIHYDRO-5'-OXO-3'-FURYL)-5-BETA,14-BETA-ANDROSTAN-3-BETA,14-DIOL
  • Digitoxigenin, (3.beta.-OH,5.beta.-H)
  • Digitoxigenine
  • 5B-CARD-20/22/-ENOLIDE, 3B,14-DI- HYDROXY-,
  • (+)-Digitoxigenin
3-ALPHA,14-DIHYDROXY-5-BETA,14-BETA-CARD-20(22)-ENOLIDE
XZTUSOXSLKTKJQ-CIXPXFMPSA-N
CARD-20(22)-ENOLIDE, 3,14-DIHYDROXY-, (3.BETA.,5.BETA.)-
Uzarigenin
Digitoxigenin
3-ALPHA,14-DIHYDROXY-5-BETA,14-BETA,17-ALPHA-CARD-20(22)-ENOLIDE
Uzarigenin
3-BETA,14-DIHYDROXY-5-BETA,14-BETA,17-ALPHA-CARD-20(22)-ENOLIDE
17.beta.H-Digitoxigenin
17-BETA-UZARIGENIN
Digitoxigenin, (3.beta.-OH,5.beta.-H)
3,14-Dihydroxy-card-20(22)enolide
Title Journal or Book Year
Biotransformation of digitoxigenin by Cochliobolus lunatus Journal of the Brazilian Chemical Society 2007
Structural studies of digitoxin and related cardenolides by two-dimensional NMR Canadian Journal of Chemistry 1990
Cardiac glycosides. 7. Sugar stereochemistry and cardiac glycoside activity Journal of Medicinal Chemistry 1986
13C NMR spectra of 5β,14β-hydroxysteroids Magnetic Resonance in Chemistry 1985
Enzymic formation of .BETA.-alkyl glycosides by .BETA.-galactosidase from Aspergillus oryzae and its application to the synthesis of chemically unstable cardiac glycosides. Chemical and Pharmaceutical Bulletin 1985
Cardiac glycosides: 5. Stereoselective syntheses of digitoxigenin α-D, β-D, α-L, and β-L-glucosides Tetrahedron 1985
Neue Cardenolidglykoside ausDigitalis lanata1 Planta Medica 1984
Carbon- 13 n.m.r. spectra of cardenolide glycosides. Configuration of the 11,12-epoxide in cerbertin Journal of the Chemical Society, Perkin Transactions 1 1981
Cardenolide analogues. Part 12. 13C N.m.r. of semi-synthetic glycosides and side-chain modified genins Journal of the Chemical Society, Perkin Transactions 1 1981
3'-O-Methylevomonoside: a new cytotoxic cardiac glycoside from Thevetia ahouia A. DC (Apocynaceae) The Journal of Organic Chemistry 1981
3-epi-periplogenin: ein neues cardenolid aus Adonis vernalis Phytochemistry 1980
13C n.m.r. spectra of steroids —a survey and commentary Organic Magnetic Resonance 1977
Application of carbon-13 N.M.R. spectroscopy to structural determination of steroidal trisaccharides, thevetin a and b Tetrahedron Letters 1977
Carbon-13 nuclear magnetic resonance spectra of cardenolides Tetrahedron Letters 1973

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Digitoxigenin
17-BETA-UZARIGENIN
Digitoxigenin, (3.beta.-OH,5.beta.-H)
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