5a-Cholestan-3-one
Compound with spectra: 6 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | 9PyM5iQJQPr |
|---|---|
| InChI | InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | PESKGJQREUXSRR-UXIWKSIVSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
| Enantiomer InChIKey | PESKGJQREUXSRR-WZQCNCHSSA-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 | C4550-000 |
| Technique | KBr0 |
| 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 | C74407 |
| Technique | Mull |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C4550-000 |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | C8128 |
| 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 | C74407 |
| Copyright | Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | C74407 |
| Solvent | CDCl3 |
| Copyright | Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| 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 | C74407 |
| 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 | C4550-000 |
| Copyright | Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Copyright | Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
- Cholestanone
- 3-Keto-5a-cholestane
- 5-ALPHA-3-CHOLESTANONE
- Cholestan-3-one
- CHOLESTAN-3-ONE, (5alpha)-
- 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYLHEXADECAHYDRO-CYCLOPENTA[a]PHENANTHREN-3-ONE
- (1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one
- 3-Oxocholestane
(25 S)-3-Keto-5.alpha.-cholestan-26-oic acid
Methyl (2S,6R)-6-((5S,8R,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
Cholestan-3-one, 25-hydroxy-, (5.beta.)-
3-OXO-5-BETA-CHOLAN-24-AL
Ergostan-3-one, (5.alpha.)-
3-OXO-5-BETA-CHOLANE-24-CYANOHYDRIN
Dehydrolithocholic acid (DHLCA)
Stigmastan-3-one
3-OXO-5B-CHOLAN-24-OATE
Methyl trisnor-5.alpha.-cholestan-3-on-24-oate
| Title | Journal or Book | Year |
|---|---|---|
| 13C nuclear magnetic resonance spectra of bridged-ring steroids and related compounds | Magnetic Resonance in Chemistry | 1985 |
| 13C n.m.r. spectra of steroids —a survey and commentary | Organic Magnetic Resonance | 1977 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. 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.