5α-Androstan-3,17-dione, TMS
- Formula: C25H44O2Si2
- Molecular weight: 432.7867
- IUPAC Standard InChI: InChI=1S/C25H44O2Si2/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/h12,17-18,20-22H,9-11,13-16H2,1-8H3/t18-,20?,21?,22?,24-,25-/m1/s1
- IUPAC Standard InChIKey: BMWSYFZMLBIPOC-OOTJLFDSSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 5α-Androstane-3,17-dione, 3-enol, per-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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 2660. | Parr, Zapp, et al., 2007 | 16.5 m/0.25 mm/0.25 μm, He, 20. K/min, 320. C @ 2. min; Tstart: 140. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2645. | Bowers and Borts, 1996 | 30. m/0.25 mm/0.1 μm, He; Program: 170C => 20C/min => 260C => 2.7C/min => 305C => 20C/min => 320C |
| Capillary | BPX-5 | 2649. | Bowers and Borts, 1996 | 30. m/0.22 mm/0.25 μm, He; Program: 170C => 20C/min => 260C => 2.7C/min => 305C => 20C/min => 320C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Parr, Zapp, et al., 2007
Parr, M.K.; Zapp, J.; Becker, M.; Opfermann, G.; Bartz, U.; Schanzer, W.,
Steroidal isomers with uniform mass spectra of their per-TMS derivatives: Synthesis of 17-hydroxyandrostan-3-ones, androst-1-, and -4-ene-3,17-diols,
Steroids, 2007, 72, 6-7, 545-551, https://doi.org/10.1016/j.steroids.2007.03.006
. [all data]
Bowers and Borts, 1996
Bowers, L.D.; Borts, D.J.,
Separation and confirmation of anabolic steroids with quadrupole ion trap tandem mass spectrometry,
J. Chromatogr. B, 1996, 687, 1, 69-78, https://doi.org/10.1016/S0378-4347(96)00231-9
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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