5α-Estranediol-3β,17β, bis-TMS
- Formula: C24H46O2Si2
- Molecular weight: 422.7918
- IUPAC Standard InChI: InChI=1S/C24H46O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h17-23H,8-16H2,1-7H3/t17-,18-,19?,20?,21?,22?,23-,24-/m1/s1
- IUPAC Standard InChIKey: UOQHQBNVJDUSEX-NKWIKOKZSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 5A-Estran-3B,17B-diol, bis-TMS
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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 | 210. | 2540. | Brooks, Thawley, et al., 1971 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2558. | Houghton, Ginn, et al., 1989 | H2, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 150. C; Tend: 300. C |
| Capillary | BP-5 | 2573. | Houghton, Ginn, et al., 1989 | H2, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 150. C; Tend: 300. C |
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.
Brooks, Thawley, et al., 1971
Brooks, C.J.W.; Thawley, A.R.; Rocher, P.; Middleditch, B.S.; Anthony, G.M.; Stillwell, W.G.,
Characterization of Steroidal Drug Metabolites by Combined Gas Chromatography-Mass Spectrometry,
J. Chromatogr. Sci., 1971, 9, 1, 35-43, https://doi.org/10.1093/chromsci/9.1.35
. [all data]
Houghton, Ginn, et al., 1989
Houghton, E.; Ginn, A.; Teale, P.; Dumasia, M.C.; Copsey, J.,
Comparison of the use of mass spectrometry and methylene unit values in the determination of the stereochemistry of estranediol, the major urinary metabolite of 19-nortestosterone in the horse,
J. Chromatogr., 1989, 479, 73-83, https://doi.org/10.1016/S0021-9673(01)83318-5
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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