5-β-Pregnan-3-α,20-β-diol, TMS

• 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-WPBWPDMKSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Pregnane-3,20-diol, (3α,5β,20S)-, 2TMS derivative
  • 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-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: 5β-Pregnane-3α,20α-diol, MO-TMS; 5-β-Pregnan-3-α,20-α-diol, MeTMS
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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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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]

Honour, Tourniaire, et al., 1978
Honour, J.W.; Tourniaire, J.; Biglieri, E.G.; Shackleton, C.H.L., Urinary steroid excretion in 17alpha-hydroxylase deficiency, J. Steroid Biochem., 1978, 9, 6, 495-505, https://doi.org/10.1016/0022-4731(78)90115-2 . [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, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J., Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy, J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X . [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

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