Cholest-5-en-3-ol (3β)-, acetate

• Formula: C₂₉H₄₈O₂
• Molecular weight: 428.6902
• IUPAC Standard InChI: InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20?,23-,24?,25?,26?,27?,28?,29?/m1/s1 Copy

  
• IUPAC Standard InChIKey: XUGISPSHIFXEHZ-WOOIZHOCSA-N Copy
• CAS Registry Number: 604-35-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 20-Isocholesterol acetate
  • 5A-Cholesten-3B-ol, acetate
• Other names: Cholesterol, acetate; (-)-Cholesteryl acetate; Cholest-5-en-3β-ol acetate; Cholest-5-en-3β-yl acetate; Cholesterin acetate; Cholesteryl acetate; 3β-Acetoxycholest-5-ene; 5-Cholesten-3β-ol acetate; Cholest-5-en-3-yl acetate, (3β)-; 5-Cholesten-3-beta-ol, acetate; 3-Cholesteryl acetate; NSC 8799; 5-Cholesten-3B-ol, acetate
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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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

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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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.

Itoh, Tani, et al., 1982
Itoh, T.; Tani, H.; Fukushima, K.; Tamura, T.; Matsumoto, T., Structure-Retention Relationship of Sterols and Triterpene Alcohols in Gas Chromatography on a Glass Capillary Column, J. Chromatogr., 1982, 234, 1, 65-76, https://doi.org/10.1016/S0021-9673(00)81781-1 . [all data]

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]

Notes

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