Androstane-3,17-diol, (3β,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-HJXFITINSA-N
- CAS Registry Number: 13260-01-0
- 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,5α,17β)-, 2TMS derivative
- Androstane-3,17-diol, (3α,5β,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: 3β,17β-Bis(trimethylsilyloxy)-5α-androstane; Silane, [[(3β,5α,17β)-androstane-3,17-diyl]bis(oxy)]bis[trimethyl-; Silane, (5α-androstan-3β,17β-ylenedioxy)bis[trimethyl-; Trimethylsilylderivative of 5α-Androstane-3β, 17β-diol; 3,17-Bis[(trimethylsilyl)oxy]androstane , (3β,5α,17β)-; 5α-Androstan-3β,17β-diol, bis-TMS; 5α-Androstane-3β,17β-diol, bis(trimethylsilyl) ether; 5α-Androstanediol-3β,17β, bis-TMS; 5A-Androstane-3B,17B-diol, TMS; 5-α-Androstan-3-β,17-β-diol, TMS; 5A-Androstan-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-101 | 207. | 2631. | Berthou, Picart, et al., 1976 | Column length: 2.1 m |
| Capillary | OV-101 | 252. | 2655. | Berthou, Picart, et al., 1976 | Column length: 55. m; Column diameter: 0.37 mm |
| Capillary | OV-101 | 252. | 2655. | Berthou, Picart, et al., 1976 | Column length: 55. m; Column diameter: 0.37 mm |
| Packed | OV-1 | 210. | 2620. | 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 | 2649. | 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 | 2664. | 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 | 2652.1 | 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 |
|---|---|---|---|---|
| Packed | SE-30 | 2614. | Harvey, 1980 | N2, Gas Chrom Q, 4. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
| Packed | SE-30 | 2614. | Harvey, 1977 | N2, Gas Chrom Q, 2. K/min; Column length: 2.0 m; Tstart: 150. C; Tend: 290. 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.
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]
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]
Harvey, 1980
Harvey, D.J.,
Vinyldimethylsilyl ethers as derivative for the characterization of steroids and cannabinoids by gas chromatography mass spectrometry,
Biomed. Mass Spectrom., 1980, 7, 5, 211-216, https://doi.org/10.1002/bms.1200070507
. [all data]
Harvey, 1977
Harvey, D.J.,
Allyldimethylsilyl ethers as derivatives for the characterization of steroids and cannabinoids by combined gas chromatography and mass spectrometry,
Biomed. Mass Spectrom., 1977, 4, 4, 265-274, https://doi.org/10.1002/bms.1200040414
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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