Pregnan-3α-ol-20-one

• Formula: C₂₁H₃₄O₂
• Molecular weight: 318.4935
• IUPAC Standard InChI: InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m0/s1 Copy

  
• IUPAC Standard InChIKey: AURFZBICLPNKBZ-ZGLJFNAKSA-N Copy
• CAS Registry Number: 128-20-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3Beta-hydroxy-5beta-pregnan-20-one
  • Allopregnan-3α-ol-20-one
  • 5α-Pregnane-3β-ol-20-one
• Other names: Pregnan-20-one, 3-hydroxy-, (3α,5β)-; 5β-Pregnan-20-one, 3α-hydroxy-; Pregnanolone II; SKF 6455; 3α-Hydroxy-5β-tetrahydroprogesterone; 3α,5β-Epimeric pregnanolone; 3α-Hydroxy-5β-pregnan-20-one; Pregnanolone; 3α,5β-Pregnanolone; 3-Hydroxypregnan-20-one, (3α,5β)-; 3alpha-hydroxy-5beta-Pregnan-20-one; 5beta-Pregnan-3alpha-ol-20-one; 5β-Pregnan-3α-ol-20-one; NSC 82867; 5B-Pregnan-3A-ol-20-one
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• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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, 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.

Knights, 1966
Knights, B.A., Application of retention indices to steroid gas chromatography, J. Gas Chromatogr., 1966, 4, 9, 329-331, https://doi.org/10.1093/chromsci/4.9.329 . [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]

Notes

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