Estra-1,3,5(10)-trien-3-ol

• Formula: C₁₈H₂₄O
• Molecular weight: 256.3826
• IUPAC Standard InChI: InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m0/s1 Copy

  
• IUPAC Standard InChIKey: HJKVPZJVBHWFCQ-WNRNVDISSA-N Copy
• CAS Registry Number: 53-63-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Estrone, 17-deoxy-; 17-Deoxyestrone; 17-Desoxyestradiol; 3-Hydroxyestra-1,3,5(10)-triene; 17-Deoxyestradiol; 17-Deoxyoestrone; OESTRA-1,3,5(10)-TRIEN-3-OL; 1,3,5(10)-Oestratrien-3-ol
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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Gas phase ion energetics 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: John E. Bartmess

De-protonation reactions

C₁₈H₂₃O^- +  =

By formula: C₁₈H₂₃O^- + H⁺ = C₁₈H₂₄O

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

Normal alkane RI, non-polar column, isothermal

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bourgoin-Voillard, Zins, et al., 2009
Bourgoin-Voillard, S.; Zins, E.L.; Fournier, F.; Jacquot, Y.; Afonso, C.; Pepe, C.; Leclercq, G.; Tabet, J.C., Stereochemical Effects During [M-H](-) Dissociations of Epimeric 11-OH-17 beta-Estradiols and Distant Electronic Effects of Substituents at C-(11) Position on Gas Phase Acidity, J. Am. Soc. Mass Spectrom., 2009, 20, 12, 2318-2333, https://doi.org/10.1016/j.jasms.2009.08.017 . [all data]

Dehennin and Scholler, 1969
Dehennin, L.; Scholler, R., Correlation entre la structure moleculaire de quelques steroides en C₁₈ et leurs grandeurs de retention en chromatographie en phase gazeuse, J. Steroid Biochem., 1969, 1, 1, 57-76, https://doi.org/10.1016/0022-4731(69)90009-0 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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