Digoxigenin
Compound with spectra: 9 NMR, 3 FTIR, 1 UV-Vis, and 1 MS (GC)
| 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 |
| Enantiomer InChIKey | SHIBSTMRCDJXLN-JKEQXKICSA-N |
| 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 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | D9026 |
| Technique | KBr1 0.55mg |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | D10380-2 |
| Technique | FILM (CAST FROM ISOPROPYL ALCOHOL) |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | D9026 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:DMSO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:CD3OD |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
- Lanadigigenin
- 5b,20(22)-Cardenolide-3b,12b,14-triol
- 3b,12b,14b,21-Tetrahydroxy-20(22)-norcholenic acid lactone 3b,12b,14-Trihydroxy-5b,20(22)-cardenolide
- 3beta,12beta,14beta,21-Tetrahydroxy-20(22)-norcholenic acid lactone, 3beta,12beta,14-Trihydroxy-beta,20(22)-cardenolide, 5beta,20(22)-Cardenolide-3beta,12beta,14-triol, Lanadigigenin
- 3β,12β,14-trihydroxy-5β-card-20(22)-enolide
- DIGOXIGENIN,(3-BETA-OH,5-BETA-H)
- 5B-CARD-20/22/-ENOLIDE, 3B,12B,14-TRIHYDROXY-,
| Title | Journal or Book | Year |
|---|---|---|
| Structural studies of digitoxin and related cardenolides by two-dimensional NMR | Canadian Journal of Chemistry | 1990 |
| Structure of aspecioside from the monarch butterfly larvae foodplants Asclepias speciosa and A. syriaca | Journal of the Chemical Society, Perkin Transactions 1 | 1986 |
| 13C NMR spectra of 5β,14β-hydroxysteroids | Magnetic Resonance in Chemistry | 1985 |
| Neue Cardenolidglykoside ausDigitalis lanata | 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 |
| Carbon-13 nuclear magnetic resonance spectra of cardenolides | Tetrahedron Letters | 1973 |
This compound is available in the following databases:
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich, Inc. |