Pregna-1,4-diene-3,20-dione
Compound with spectra: 2 NMR, 3 FTIR, 2 Raman, and 2 MS (GC)
| SpectraBase Compound ID | 6zcTiibT6JB |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | QIEPWCSVQYUPIY-LEKSSAKUSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
| Enantiomer InChIKey | QIEPWCSVQYUPIY-RLLAOZKESA-N |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | P0400-000 |
| Technique | KBr1 0.49mg |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | P0400-000 |
| Copyright | Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Source of Spectrum | Forensic Spectral Research |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2013-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | P0400-000 |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | PH006872 |
| Copyright | Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Spiteller, University Bayreuth, Germany |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- "Pregna-1,4-diene-3,20-dione "
- 1,4-Pregnadien-3,20-dione
- delta 1-Progesterone
- 1-Dehydroprogesterone
- PREGNA-1,4-DIEN-3,20-DION
- 1,4-Pregnadiene-3,20-dione
- (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
| Title | Journal or Book | Year |
|---|---|---|
| A carbon-13 nuclear magnetic resonance study of the 1,4-diene analogues of steroid hormones and related steroids | Organic Magnetic Resonance | 1984 |
This compound is available in the following databases:
Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011
Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.
Fast and reliable identification of trace steroids requires an up-to-date library covering most known and newly emerging steroids. It is updated annually. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich |