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
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- Other names: Coprostan-3-one; 5β-Cholestan-3-one; Coprostanone; 5B-Cholestan-3-one
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | DB-5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. |
| Tend (C) | 300. | 300. |
| Heat rate (K/min) | 3. | 6. |
| Initial hold (min) | 2. | |
| Final hold (min) | 30. | 15. |
| I | 3075. | 3057. |
| Reference | Isidorov, Lech, et al., 2008 | Rogge, Medeiros, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, 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, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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