Pregnane-3,20-diol, (3α,5β,20S)-, 2TMS derivative

• Formula: C₂₇H₅₂O₂Si₂
• Molecular weight: 464.8716
• IUPAC Standard InChI: InChI=1S/C27H52O2Si2/c1-19(28-30(4,5)6)23-12-13-24-22-11-10-20-18-21(29-31(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3/h19-25H,10-18H2,1-9H3/t19-,20+,21+,22-,23+,24-,25-,26-,27+/m1/s1 Copy

  
• IUPAC Standard InChIKey: PSZRAFDARWUCMW-OBVGOMDRSA-N Copy
• CAS Registry Number: 16134-56-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 5-β-Pregnan-3-α,20-α-diol, TMS
  • Allo-pregnanediol, MO TMS
  • 5-α-Pregnan-3-α,20-α-diol, TMS
  • 5-α-Pregnan-3-β,20-α-diol, TMS
  • 5-β-Pregnan-3-β,20-α-diol, TMS
  • 5-α-Pregnan-3-α,20-β-diol, TMS
  • 5-α-Pregnan-3-β,20-β-diol, TMS
  • 5-β-Pregnan-3-α,20-β-diol, TMS
  • 5-β-Pregnan-3-β,20-β-diol, TMS
  • 5-α-Pregnan-3-β,20-α-diol, MeTMS
  • 5-β-Pregnan-3-β,20-α-diol, MeTMS
• Other names: Silane, [[(3α,5β,20S)-pregnane-3,20-diyl]bis(oxy)]bis[trimethyl-; Silane, (5β-pregnan-3α,20α-ylenedioxy)bis[trimethyl-; Silane, [(3α,5β,20α)-pregnane-3,20-diylbis(oxy)]bis[trimethyl-; 3α,20α-Bis[(trimethylsilyl)oxy]-5β-pregnane; 5β-Pregnane-3α,20α-diol, bis(trimethylsilyl) ether; 3α,20α-Dihydroxy-5β-pregnane, bis-TMS; 5β-Pregnane-3α,20α-diol, di-TMS; Pregnanediol, bis-TMS; Pregnanediol, (2TMS); Pregnanediol, TMS; 5β-Pregnane-3α,20α-diol, TMS; 3A,20A-Dihydroxy-5B-pregnane, bis-TMS
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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

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

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

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Normal alkane RI, non-polar column, isothermal

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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.

Voelter, Jung, et al., 1971
Voelter, W.; Jung, G.; Breitmaier, E.; Bouchon, G.; Bayer, E.; Gupta, D., Comparison of the trifluoroacetyl and trimethylsilylether derivaties for gas chromatography of steroids, Anal. Chim. Acta., 1971, 53, 1, 185-188, https://doi.org/10.1016/S0003-2670(01)80085-4 . [all data]

Ludwig-Koehn and Henning, 1986
Ludwig-Koehn, H.; Henning, H.V., Some aspects of quantification of neutral steroid metabolites in body fluids of healthy and uremic subjects by capillary gas chromatography, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 1, 35-38, https://doi.org/10.1002/jhrc.1240090106 . [all data]

Hurter and van Ree, 1979
Hurter, P.; van Ree, T., Programmed-Temperature Gas Chromatography on Mixed Phases. Separation of Steroid Derivatives on Binary Mixtures, J. Chromatogr., 1979, 169, 93-100, https://doi.org/10.1016/0021-9673(75)85034-5 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Krupcik, Rutten, et al., 1976
Krupcik, J.; Rutten, G.A.F.M.; Rijks, J.A., The influence of temperature on the separation and characterization of steroids on non-polar glass capillary columns, Chem. zvesti, 1976, 30, 4, 469-479. [all data]

Pfeifer and Spiteller, 1981
Pfeifer, P.; Spiteller, G., Steroid Profiles of Healthy Individuals, J. Chromatogr., 1981, 223, 1, 21-32, https://doi.org/10.1016/S0378-4347(00)80064-X . [all data]

Meng, Griffiths, et al., 1996
Meng, L.J.; Griffiths, W.J.; Sjövall, J., The identification of novel steroid N-acetylglucosaminides in the urine of pregnant women, J. Steroid Biochem., 1996, 58, 5/6, 585-598, https://doi.org/10.1016/0960-0760(96)00080-5 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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