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5α-Pregnan-3,20-dione

Compound with spectra: 7 NMR, 4 FTIR, 2 Raman, and 4 MS (GC)

5α-Pregnan-3,20-dione
SpectraBase Compound ID FPYG8uDNNyT
InChI InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey XMRPGKVKISIQBV-BJMCWZGWSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol
Enantiomer InChIKey XMRPGKVKISIQBV-NGEWVIDBSA-N

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ATR-IR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number P2750-000

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13C NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. Merck AG, Darmstadt, Germany
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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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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1H NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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Raman Spectrum
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number P2750-000

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Raman Spectrum
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number Q4850-000

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Technique 4000-1350 CM^-^1=MULLED IN PERFLUORINATED HYDROCARBON; 1350-450 CM^-^1=MULLED IN MINERAL OIL

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FTIR Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids
Source of Spectrum Forensic Spectral Research
Catalog Number P2750-000
Technique KBr1 0.62mg

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany

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MS (GC) Spectrum
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588
  • Allodihydroprogesterone
  • 5a-Pregnane-3,20-dione
  • 3,20-allopregnanedione
  • Pregnane-3,20-dione
  • PREGNANE-3,20-DIONE, (5alpha)-
  • (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • (1S,2S,7S,10R,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one
5A-PREGNA-3,20-DIONE
5β-Pregnan-3,20-dione
5β,17α-pregnane-3,20-dione
5alpha-PREGNANEDIONE
Pregnane-3,20-dione
(8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
1-((1S,5aS,8R,10aS,12aS)-8-Hydroxy-10a,12a-dimethyl-octadecahydro-cyclohepta[a]cyclopenta[f]naphthalen-1-yl)-ethanone
3.alpha.-Fluoro-5.beta.-pregnan-20-one
4.beta.-A-nor-Pregnane-3,20-dione
1-Pentanone, 1-[(5.alpha.)-androstan-17-yl]-
Dihydrotestosterone chloroformate
5.BETA.-ANDROSTAN-17.ALPHA.-OL-3-ONE-TRIMETHYLSILYL ETHER
5.ALPHA.-ANDROSTAN-17.BETA.-OL-3-ONE-TRIMETHYLSILYL ETHER
5.alpha.-dihydrotestosterone TMS
Title Journal or Book Year
13C NMR spectroscopy of some 20-ketopregnanes Magnetic Resonance in Chemistry 1994
Cytotoxic Steroids of Gelsemium sempervirens Journal of Natural Products 1987
13C n.m.r. spectra of steroids —a survey and commentary Organic Magnetic Resonance 1977
5alpha-PREGNANEDIONE
5A-PREGNA-3,20-DIONE
Pregnane-3,20-dione
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