5β-Androst-1-ene-3β,17β-diol,bis-TMS
- Formula: C25H46O2Si2
- Molecular weight: 434.8025
- IUPAC Standard InChI: InChI=1S/C25H46O2Si2/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/h13,15,18-23H,9-12,14,16-17H2,1-8H3/t18-,19+,20?,21?,22?,23+,24+,25+/m0/s1
- IUPAC Standard InChIKey: AFIXZMQBNBXTRZ-TZJCIHJTSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 5β-Androst-1-ene-3β,17β-diol, per-TMS
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 |
|---|---|---|---|---|
| Active phase | Ultra-1 | HP-5MS | SE-54 | SE-54 |
| Column length (m) | 17. | 16.5 | 20. | 15. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.11 | 0.25 | 0.33 | 0.33 |
| Tstart (C) | 140. | 140. | 200. | 200. |
| Tend (C) | 320. | 320. | 300. | 300. |
| Heat rate (K/min) | 20. | 20. | 5. | 5. |
| Initial hold (min) | ||||
| Final hold (min) | 2. | 2. | ||
| I | 2541. | 2608. | 2571. | 2575. |
| Reference | Parr, Zapp, et al., 2007 | Parr, Zapp, et al., 2007 | Schänzer and Donike, 1992 | Schänzer and Donike, 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
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]
Schänzer and Donike, 1992
Schänzer, W.; Donike, M.,
Metabolism of boldenone in man: gas chromatographic/mass spectrometric identification of urinary excreted metabolites and determination of excretion rates,
Biol. Mass Spectrom., 1992, 21, 1, 3-16, https://doi.org/10.1002/bms.1200210104
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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