Pregnanediol MO TMS
- Formula: C28H54O2Si2
- Molecular weight: 478.8982
- IUPAC Standard InChI: InChI=1S/C28H54O2Si2/c1-10-26(30-32(7,8)9)25-14-13-23-22-12-11-20-19-21(29-31(4,5)6)15-17-27(20,2)24(22)16-18-28(23,25)3/h20-26H,10-19H2,1-9H3/t20-,21-,22?,23?,24?,25-,26+,27+,28+/m0/s1
- IUPAC Standard InChIKey: FFOITQMJIMFGSD-SAGLKEOOSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 221. | 2779. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 231. | 2790. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 241. | 2802. | Mitra, 1982 | N2; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | OV-1 | 255. | 2802. | Luyten and Rutten, 1974 | He; Column length: 20. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-1 | 2779. | Ebner, Corol, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 70C(5min) => 20C/min => 220C(0.33min) => 5C/min => 315C (4min) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 2758. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 180. C |
| Capillary | OV-1 | 2785. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 220. C |
| Capillary | SE-30 | 2786. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 200. C |
| Packed | SE-30 | 2764. | Luyten and Rutten, 1974 | He, 1. K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2799. | Hähnel, Wilkinson, et al., 1985 | He; Column length: 25. m; Column diameter: 0.3 mm; Program: 40C (1min) => 20C/min => 200C => 2C/min => 300C (11min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mitra, 1982
Mitra, G.D.,
Determination of precise retention indices of steroids using an all-glass solid injection system,
J. Chromatogr., 1982, 234, 1, 214-217, https://doi.org/10.1016/S0021-9673(00)81795-1
. [all data]
Luyten and Rutten, 1974
Luyten, J.A.; Rutten, G.A.F.M.,
Analysis of Steroids by High-Resolution Gas-Liquid Chromatography. II. Application to Urinary Samples,
J. Chromatogr., 1974, 91, 393-406, https://doi.org/10.1016/S0021-9673(01)97918-X
. [all data]
Ebner, Corol, et al., 2006
Ebner, M.J.; Corol, D.I.; Havlíková, H.; Honour, J.W.; Fry, J.P.,
Identification of neuroactive steroids and their precursors and metabolites in adult male rat brain,
Endocrinology, 2006, 147, 1, 179-190, https://doi.org/10.1210/en.2005-1065
. [all data]
Hähnel, Wilkinson, et al., 1985
Hähnel, E.; Wilkinson, S.P.; Hähnel, R.,
Urinary steroid profiles in pregnancy by capillary column gas chromatography,
Clin. Chim. Acta, 1985, 151, 3, 259-271, https://doi.org/10.1016/0009-8981(85)90089-0
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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