Estradiol

• Formula: C₁₈H₂₄O₂
• Molecular weight: 272.3820
• IUPAC Standard InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15?,16?,17-,18?/m1/s1 Copy

  
• IUPAC Standard InChIKey: VOXZDWNPVJITMN-AWDGRILASA-N Copy
• CAS Registry Number: 50-28-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • α-Estradiol
• Other names: Estra-1,3,5(10)-triene-3,17-diol (17β)-; β-Estradiol; Altrad; Aquadiol; Bardiol; Corpagen; D-3,17β-Estradiol; Dihydrofollicular hormone; Dihydrofolliculin; Dihydromenformon; Dihydrotheelin; Dihydroxyestrin; Dimenformon; Diogyn; Diogynets; Estra-1,3,5(10)-triene-3,17β-diol; Estraldine; Estrovite; Femestral; Femogen; Follicyclin; Ginosedol; Gynergon; Gynoestryl; Lamdiol; Macrodiol; Nordicol; Oestergon; Oestra-1,3,5(10)-triene-3,17β-diol; Oestradiol; Oestroglandol; Ovahormon; Ovasterol; Ovastevol; Ovocyclin; Perlatanol; Primofol; Profoliol; Progynon; Progynon-DH; Syndiol; Theelin, dihydro-; 17β-Estradiol; 17β-Oestradiol; 3,17β-Dihydroxyestra-1,3,5(10)-triene; 3,17β-Dihydroxyestra-1,3,5-triene; 3,17β-Estradiol; 3,17-Epidihydroxyestratriene; 1,3,5,(10)-Estratrien-3,17β-diol; β-Oestradiol; cis-Estradiol; cis-Oestradiol; D-Estradiol; D-Oestradiol; D-3,17β-Oestradiol; Dihydroxyesterin; Dihydroxyoestrin; Dimenformon prolongatum; Estrace; Estradiol-17β; Estradiol, β-; Menest; NSC-9895; Oestradiol-17β; Ovocycline; Ovocylin; SK-Estrogens; Trocosone; 1,3,5-Estratriene-3,17β-diol; 17β-Estra-1,3,5(10)-triene-3,17-diol; 17β-Oestra-1,3,5(10)-triene-3,17-diol; 17β-OH-estradiol; 17β-OH-oestradiol; 3,17β-Dihydroxy-1,3,5(10)-estratriene; 3,17β-Dihydroxy-1,3,5(10)-oestratriene; 3,17β-Dihydroxyoestra-1,3,5-triene; 3,17-Epidihydroxyoestratriene; E 2; Gynestrel; Macrol; Microdiol; 3,17-β-Oestradiol; Oestradiol R; Oestrogynal; Ovociclina; Estraderm TTS; Climara; Estraderm; Estring vaginal ring; Estroclim; Evorel; Menorest; NSC-20293; Oestrogel; Profoliol B; Systen; Vagifem; Vivelle; Zumenon; Oesclim; (+)-3,17β-Estradiol; Beta-estradiol; Benzogynestry; Epiestriol 50; Estasorb; Femanest; Estropause; Gelestra; Estradot; α-Estradiol; α-Oestradiol; component of Menrium; Amnestrogen; Estrol; Evex; Femestrol; E(sub 2); Agofollin; Soldep; Ricifon; Sotipox; Ritsifon; 3,17-Epidihydroxyestratrienelor; Estra-1(10),2,4-triene-3,17-diol; Estra-1,3,5(10)-triene-3,17beta-diol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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

C₁₈H₂₃O₂^- +  =

By formula: C₁₈H₂₃O₂^- + H⁺ = C₁₈H₂₄O₂

References

Go To: Top, Gas phase ion energetics data, 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]

Notes

Go To: Top, Gas phase ion energetics data, 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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