Cholestan-3-one, (5β)-
- Formula: C27H46O
- Molecular weight: 386.6535
- IUPAC Standard 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?/m0/s1
- IUPAC Standard InChIKey: PESKGJQREUXSRR-GPWPMFNDSA-N
- CAS Registry Number: 601-53-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Coprostan-3-one; 5β-Cholestan-3-one; Coprostanone; 5B-Cholestan-3-one
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | H. Fales, LC, NHLBI, NIH, Bethesda, MD 20892 |
| NIST MS number | 124393 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 3075. | Isidorov, Lech, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 300. C @ 30. min; Tstart: 50. C |
| Capillary | DB-5MS | 3057. | Rogge, Medeiros, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 6. K/min, 300. C @ 15. min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Isidorov, Lech, et al., 2008
Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L.,
Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack,
Trees, 2008, 22, 4, 531-542, https://doi.org/10.1007/s00468-008-0213-z
. [all data]
Rogge, Medeiros, et al., 2006
Rogge, W.F.; Medeiros, P.M.; Simoneit, B.R.T.,
Organic marker compounds for surface soil and fugitive dust from open lot dairies and cattle feedlots,
Atmos. Environ., 2006, 40, 1, 27-49, https://doi.org/10.1016/j.atmosenv.2005.07.076
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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