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4-Pregnen-11β,17,21-triol-3, 20-dione

Compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

4-Pregnen-11β,17,21-triol-3, 20-dione
SpectraBase Compound ID EeiU30bYg32
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey JYGXADMDTFJGBT-VWUMJDOOSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol
Enantiomer InChIKey JYGXADMDTFJGBT-NDNUHCHRSA-N

View Spectrum of 4-Pregnen-11β,17,21-triol-3, 20-dione

MS (GC) Spectrum
Copyright Copyright © 2012-2025 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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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2011-2025 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 © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BW-2001-0-294

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ATR-IR Spectrum
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number Q3880-000

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ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 286095

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. Merck AG, Darmstadt, Germany
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CD3OD=95:5

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13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 286095
Solvent DMSO-d6

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Raman Spectrum
Copyright Copyright © 2013-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Steraloids Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number Q3880-000

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Technique KBr WAFER

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FTIR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 286095
Technique Mull

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1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 286095
Solvent DMSO-d6
  • Hydrocortisone
  • Cortisol
  • 11b,17a,21-Trihydroxypregn-4-ene-3,20-dione
  • 17-Hydroxycorticosterone
  • Kendall’s compound ‘F’
  • Reichstein’s substance ‘M’
  • Kendall
  • 11-BETA,17-ALPHA,21-TRIHYDROXYPREGN-4-EN-3,20-DION
  • 11-BETA-17,21-TRIHYDROXYPREGN-4-EN-3,20-DION,(CORTISOL)
  • CORTICOSTERONE, 17-HYDROXY-,
  • 4-PREGNENE-3,20-DIONE, 11B,17,21-TRIHYDROXY-,
  • 11,17,21-Trihydroxy-pregn-4-ene-3,20-dione
  • 11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione
  • Kendall's compound F
  • Reichstein's substance M
  • 4-Pregnene-11beta,17alpha,21-triol-3,20-dione
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,- \r11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (8S,9S,10R,11S,13S,14S,17R)-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • (11beta)-11,17,21-trihydroxy-pregn-4-ene-3,20-dione
11α-Hydrocortisone
11,17,21-Trihydroxy-pregn-4-ene-3,20-dione
HYDROCORTISONE-STANDARD
4-Pregnen-11α,17,21-triol-3,20-dione
d3-cortisol
Cortisol
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
13C n.m.r. spectra of steroids —a survey and commentary Organic Magnetic Resonance 1977
Substituent effects in carbon-13 nuclear magnetic resonance spectroscopy. Progesterone, deoxycorticosterone, corticosterone, cortisol, and related steroids Journal of the American Chemical Society 1973
11,17,21-Trihydroxy-pregn-4-ene-3,20-dione
Cortisol
Hydrocortisone
HYDROCORTISONE-STANDARD
Hydrocortisone
4-Pregnen-11α,17,21-triol-3,20-dione
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