5-α-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?/m1/s1
- IUPAC Standard InChIKey: PSZRAFDARWUCMW-RVQJNZAQSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Pregnane-3,20-diol, (3α,5β,20S)-, 2TMS derivative
- 5-β-Pregnan-3-α,20-α-diol, TMS
- Allo-pregnanediol, MO 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: 5α-Pregnane-3α,20α-diol, TMS
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | Methyl Silicone | Cross-Linked Methylsilicone | Cross-Linked Methylsilicone | Polydimethyl siloxane |
| Column length (m) | 25. | 25. | 25. | ||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.32 | 0.32 | ||
| Program | not specified | 60 0C 30 K/min -> 210 0C (1.5 min) 2.5 K/min -> 320 0C (20 min) | 60C => 30C/min => 210C (1.5min) => 2.5C/min => 320C (20min) | 60C => 30C/min => 210C (1.5min) => 2.5C/min => 320C (20min) | not specified |
| I | 2754. | 2754. | 2770. | 2772. | 2786. |
| Reference | Meng, Reyes, et al., 1997 | Meng and Sjövall, 1997 | Meng, Griffiths, et al., 1996 | Meng, Griffiths, et al., 1996 | Vandenheuvel, 1975 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J.,
Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy,
J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X
. [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]
Meng, Griffiths, et al., 1996
Meng, L.J.; Griffiths, W.J.; Sjövall, J.,
The identification of novel steroid N-acetylglucosaminides in the urine of pregnant women,
J. Steroid Biochem., 1996, 58, 5/6, 585-598, https://doi.org/10.1016/0960-0760(96)00080-5
. [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
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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