17β-hydroxy-5α-androstan-3-one (2-enol), per-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/h13,18,20-23H,9-12,14-17H2,1-8H3/t18-,20?,21?,22?,23-,24-,25-/m1/s1
- IUPAC Standard InChIKey: QXTVKDCDCWLKJJ-NFPRVTBXSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 5α-Androst-2-en-3,17β-diol, (3,17-O-)-diTMSi
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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 | 260. | 2653. | Quilliam and Westmore, 1978 | Gas Chrom Q; Column length: 1. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 2626. | Parr, Zapp, et al., 2007 | 17. m/0.2 mm/0.11 μm, He, 20. K/min, 320. C @ 2. min; Tstart: 140. C |
| Capillary | HP-5MS | 2703. | 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 |
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.
Quilliam and Westmore, 1978
Quilliam, M.A.; Westmore, J.B.,
Sterically crowded trialkylsilyl derivatives for chromatography and mass spectrometry of biologically-important compounds,
Anal. Chem., 1978, 50, 1, 59-68, https://doi.org/10.1021/ac50023a020
. [all data]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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