Pregn-5-ene-3,20-diol, (3β,20S)-, 2TMS derivative

• Formula: C₂₇H₅₀O₂Si₂
• Molecular weight: 462.8557
• IUPAC Standard InChI: InChI=1S/C27H50O2Si2/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/h10,19,21-25H,11-18H2,1-9H3/t19-,21-,22-,23+,24-,25-,26-,27+/m1/s1 Copy

  
• IUPAC Standard InChIKey: PXQKWIROLXRMAD-WMLRFPDFSA-N Copy
• CAS Registry Number: 13110-77-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 20α-Dihydropregnenolone, MO-TMS
• Stereoisomers:
  • Pregn-5-ene-3,20-diol, (3β,20R)-, 2TMS derivative
  • Pregn-5-ene-3,20-diol, (3α)-, 2TMS derivative
  • 5-Pregnene-3β,20α-diol, TMSO-TMS
  • 5-Pregnene-3β,20α-diol, TMS
  • 20β-Dihydropregnenolone, MO-TMS
• Other names: Silane, [[(3β,20S)-pregn-5-ene-3,20-diyl]bis(oxy)]bis[trimethyl-; Silane, (pregn-5-en-3β,20α-ylenedioxy)bis[trimethyl-; Pregnane, trimethylsilane deriv.; bis-3β,20α-Trimethylsilyloxy-5-pregnene; 3,20-Bis[(trimethylsilyl)oxy]pregn-5-ene, (3β,20α)-; 5-Pregnen-3β,20α-diol, bis-TMS; 5-Pregnen-3-β,20-α-diol, TMS
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Options:
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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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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]

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]

Meng and Sjövall, 1997
Meng, L.-J.; Sjövall, J., Method for combined analysis of profiles of conjugated progesterone metabolites and bile acids in serum and urine of pregnant women, J. Chromatogr. B, 1997, 688, 1, 11-26, https://doi.org/10.1016/S0378-4347(97)88051-6 . [all data]

Vandenheuvel, 1975
Vandenheuvel, F.A., Gas-liquid chromatographic studies of reactions and structural relationships of steroids, J. Chromatogr., 1975, 103, 1, 113-134, https://doi.org/10.1016/S0021-9673(00)83806-6 . [all data]

Notes

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References

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