Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-

• Formula: C₂₀H₂₄O₃
• Molecular weight: 312.4028
• IUPAC Standard InChI: InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m0/s1 Copy

  
• IUPAC Standard InChIKey: KDPQTPZDVJHMET-PNYFIKQUSA-N Copy
• CAS Registry Number: 901-93-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Estrone, acetate; Estrone 3-acetate; Hogival; Oestrone-3-acetate; 3-Acetoxyestrone; 3-Acetoxyestrone R; 3-Hydroxyestra-1,3,5(10)-17-one acetate; 3Beta-acetoxyestra-1,3,5(10)-trien-17-one; 3-(Acetyloxy)-estra-1,3,5(10)-trien-17-one
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Phase change data

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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: William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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

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.

Yano, Eiraku, et al., 1990
Yano, Shinichi; Eiraku, Michitaka; Tomiyama, Makoto; Sugihara, Toshiharu, Mesogenicity of testosterone and estrone derivatives, Liquid Crystals, 1990, 7, 4, 537-544, https://doi.org/10.1080/02678299008033830 . [all data]

Notes

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• Symbols used in this document:
  

  ΔfusH

  Enthalpy of fusion

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