Androstane-3,17-diol, (3α,5α,17β)-, 2TMS derivative
- Formula: C25H48O2Si2
- Molecular weight: 436.8184
- IUPAC Standard InChI: InChI=1S/C25H48O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h18-23H,9-17H2,1-8H3/t18-,19+,20?,21?,22?,23-,24?,25?/m1/s1
- IUPAC Standard InChIKey: KBSHKNYEUGMMDQ-LVVCFMQNSA-N
- CAS Registry Number: 10426-36-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Androstane-3,17-diol, (3α,5α,17α)-, 2TMS derivative
- Androstane-3,17-diol, (3α,5β,17β)-, 2TMS derivative
- Androstane-3,17-diol, (3β,5α,17β)-, 2TMS derivative
- Androstane-3,17-diol, (3β,5β,17β)-, 2TMS derivative
- 5-β-Androstan-3-β,17-α-diol, TMS
- 5α-Androstan-3α,17β-diol, TMS
- 5α-Androstane-3β,17β-diol,bis-TMS
- 5β-Androstane-3α,17β-diol,bis-TMS
- 5β-Androstane-3β,17β-diol,bis-TMS
- 5A-Androstane-3B,17A-diol, TMS
- Other names: 5α-Androstane-3α,17β-diol, bis(trimethylsilyl) ether; Silane, [[(3α,5α,17β)-androstane-3,17-diyl]bis(oxy)]bis[trimethyl-; 5α-Androstane-3α,17β-diol, di-TMS; 3,17-Bis[(trimethylsilyl)oxy]androstane, (3α,5α,17β)-; 5α-Androstanediol-3α,17β, bis-TMS; Androstane, 3,17-bis[(trimethylsilyl)oxy]-, (3α,5α,17β)-; 5-β-Androstan-3-α,17-α-diol, TMS; 5β-Androstanediol-3α,17α, bis-TMS; 3A,17B-Dihydroxy-5A-androstane, bis-TMS; 5B-Androstane-3A,17A-diol, TMS; 3A,17A-Dihydroxy-5B-androstane, TMS; 5A-Androstan-3A,17B-diol, bis-TMS
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 332978 |
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. | 2555. | 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 | 2570. | 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 | 2580. | Houghton, Ginn, et al., 1989 | H2, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 150. C; Tend: 300. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2576. | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 2546. | Pfeifer and Spiteller, 1981 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.30 mm; Tstart: 150. C; Tend: 300. C |
References
Go To: Top, Mass spectrum (electron ionization), 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]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Pfeifer and Spiteller, 1981
Pfeifer, P.; Spiteller, G.,
Steroid Profiles of Healthy Individuals,
J. Chromatogr., 1981, 223, 1, 21-32, https://doi.org/10.1016/S0378-4347(00)80064-X
. [all data]
Notes
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