Androstane-3,17-diol, (3α,5β,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 Copy

  
• IUPAC Standard InChIKey: KBSHKNYEUGMMDQ-ZUHJIWNMSA-N Copy
• CAS Registry Number: 13111-26-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Androstane-3,17-diol, (3α,5α,17α)-, 2TMS derivative
  • Androstane-3,17-diol, (3α,5α,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: 3α,17β-Bis(trimethylsilyloxy)-5β-androstane; Silane, [[(3α,5β,17β)-androstane-3,17-diyl]bis(oxy)bis[-trimethyl-; Silane, (5β-androstan-3α,17β-ylenedioxy)bis[trimethyl-; 3,17-Bis[(trimethylsilyl)oxy]androstane, (3α,5β,17β)-; 5-β-Androstan-3-α,17-β-diol, bis-TMS; 5β-Androstanediol-3α,17β, bis-TMS; 5beta-Androstan-3alpha,17beta-diol, bis-TMS; 5-β-Androstan-3-α,17-β-diol, TMS; 5B-Androstane-3A,17B-diol, TMS; 5.beta.-Androstane-3.alpha.,17.beta.-diol, bis(trimethylsilyl) ether; Androstanediol (5A-Androstan-3A,17B-diol), TMS; 5B-Androstan-3A,17B-diol, bis-TMS
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

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

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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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.

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]

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]

Bowers, 1996
Bowers, L.D., 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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