5-β-Pregnan-3-β,20-α-diol, TFA

• Formula: C₂₅H₃₄F₆O₄
• Molecular weight: 512.5255
• IUPAC Standard InChI: InChI=1S/C25H34F6O4/c1-13(34-20(32)24(26,27)28)17-6-7-18-16-5-4-14-12-15(35-21(33)25(29,30)31)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3/t13-,14-,15+,16?,17-,18?,19?,22+,23-/m0/s1 Copy

  
• IUPAC Standard InChIKey: ZYWWYWQPOLCWDY-XFLURCESSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Pregnanediol, TFA
  • 5-α-Pregnan-3-α,20-α-diol, TFA
  • 5-α-Pregnan-3-α,20-β-diol, TFA
  • 5-α-Pregnan-3-β,20-α-diol, TFA
  • 5-α-Pregnan-3-β,20-β-diol, TFA
  • 5-β-Pregnan-3-α,20-α-diol, TFA
  • 5-β-Pregnan-3-β,20-β-diol, TFA
  • 5β-Pregnane-3α,20α-diol, bis(trifluoroacetate)
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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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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]

Notes

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