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3β-chlorocholest-5-ene

Compound with spectra: 5 NMR, 3 FTIR, and 2 MS (GC)

3β-chlorocholest-5-ene
SpectraBase Compound ID 9ynmUcZD2g0
InChI InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey OTVRYZXVVMZHHW-DPAQBDIFSA-N
Mol Weight 405.1 g/mol
Molecular Formula C27H45Cl
Exact Mass 404.320979 g/mol
Enantiomer InChIKey OTVRYZXVVMZHHW-HFRBDLMJSA-N

View Spectrum of 3β-chlorocholest-5-ene

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
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 CCl4

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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 C76604
Solvent CDCl3

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

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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 C76604
Solvent CDCl3

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-116-197-38

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-59-2248-3

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 307513

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number C76604

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C76604
Technique Mull
  • Cholesteryl chloride
  • CHOLEST-5-ENE, 3B-CHLORO-,
  • (3beta)-3-chlorocholest-5-ene
  • 3beta-Chloro-5-cholestene
3-Chloro-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
3-BETA-CHLOROCHOLEST-5-ENE;CHOLESTERYL-CHLORIDE
3-CHLOROCHOLEST-5-ENE
3.alpha.-Methylcholest-5-ene
3-Bromocholest-5-ene
3β-bromocholest-5-ene
3-BETA-FLUOROCHOLEST-5-ENE
HVYWMOMLDIMFJA-QUAPBHKQSA-N
(25R)-26-Hydroxycholesterol
(25S)-Cholest-5-en-3b,26-diol
Cholest-5-en-3-ol, 26-iodo-, (3.beta.,25R)-
Cholest-5-ene-3β-thiol
Title Journal or Book Year
13C n.m.r. spectra of steroids —a survey and commentary Organic Magnetic Resonance 1977
3β-chlorocholest-5-ene
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