5-β-Pregnan-3-α,20-α-diol, TMS
- Formula: C27H52O2Si2
- Molecular weight: 464.8716
- IUPAC Standard InChI: InChI=1S/C27H52O2Si2/c1-19(28-30(4,5)6)23-12-13-24-22-11-10-20-18-21(29-31(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3/h19-25H,10-18H2,1-9H3/t19-,20-,21-,22?,23-,24?,25?,26+,27-/m0/s1
- IUPAC Standard InChIKey: PSZRAFDARWUCMW-GQLJITBLSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Pregnane-3,20-diol, (3α,5β,20S)-, 2TMS derivative
- Allo-pregnanediol, MO TMS
- 5-α-Pregnan-3-α,20-α-diol, TMS
- 5-α-Pregnan-3-β,20-α-diol, TMS
- 5-β-Pregnan-3-β,20-α-diol, TMS
- 5-α-Pregnan-3-α,20-β-diol, TMS
- 5-α-Pregnan-3-β,20-β-diol, TMS
- 5-β-Pregnan-3-α,20-β-diol, TMS
- 5-β-Pregnan-3-β,20-β-diol, TMS
- 5-α-Pregnan-3-β,20-α-diol, MeTMS
- 5-β-Pregnan-3-β,20-α-diol, MeTMS
- Other names: 5β-Pregnane-3α,20α-diol, diTMSi
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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 |
|---|---|---|---|---|---|
| Packed | OV-1 | 230. | 2783. | Quilliam and Westmore, 1978 | Gas Chrom Q; Column length: 1. m |
| Packed | OV-1 | 260. | 2817. | Quilliam and Westmore, 1978 | Gas Chrom Q; Column length: 1. m |
| Packed | OV-101 | 207. | 2777. | Berthou, Picart, et al., 1976 | Column length: 2.1 m |
| Capillary | OV-101 | 252. | 2794. | Berthou, Picart, et al., 1976 | Column length: 55. m; Column diameter: 0.37 mm |
| Capillary | OV-101 | 252. | 2797. | Berthou, Picart, et al., 1976 | Column length: 55. m; Column diameter: 0.37 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 2768. | Meng and Sjövall, 1997 | 25. m/0.32 mm/0.25 μm; Program: 60 0C 30 K/min -> 210 0C (1.5 min) 2.5 K/min -> 320 0C (20 min) |
| Capillary | Polydimethyl siloxane | 2802. | Vandenheuvel, 1975 | Program: not specified |
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.
Quilliam and Westmore, 1978
Quilliam, M.A.; Westmore, J.B.,
Sterically crowded trialkylsilyl derivatives for chromatography and mass spectrometry of biologically-important compounds,
Anal. Chem., 1978, 50, 1, 59-68, https://doi.org/10.1021/ac50023a020
. [all data]
Berthou, Picart, et al., 1976
Berthou, F.; Picart, D.; Bardou, L.; Floch, H.H.,
Separation of C19 and C21 dihydroxysteroids by open-hole tubular glass columns and lipophilic gel chromatography,
J. Chromatogr., 1976, 118, 2, 135-155, https://doi.org/10.1016/S0021-9673(00)81203-0
. [all data]
Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J.,
Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women,
J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6
. [all data]
Vandenheuvel, 1975
Vandenheuvel, F.A.,
Gas-liquid chromatographic studies of reactions and structural relationships of steroids,
J. Chromatogr., 1975, 103, 1, 113-134, https://doi.org/10.1016/S0021-9673(00)83806-6
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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