Estrone

Formula: C₁₈H₂₂O₂
Molecular weight: 270.3661
IUPAC Standard InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
IUPAC Standard InChIKey: DNXHEGUUPJUMQT-UHFFFAOYSA-N
CAS Registry Number: 53-16-7
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Estra-1,3,5(10)-trien-17-one, 3-hydroxy-; Aquacrine; Crinovaryl; Cristallovar; Crystogen; Destrone; Disynformon; Endofolliculina; Esterone; Estrol; Estron; Estrovarin; Estrugenone; Estrusol; Femestrone injection; Femidyn; Folikrin; Folipex; Folisan; Follestrine; Follestrol; Follicular hormone; Folliculin; Follicunodis; Follidrin; Glandubolin; Hiestrone; Hormofollin; Hormovarine; Kestrone; Ketodestrin; Ketohydroxyestrin; Kolpon; Menagen; Menformon; Oestrin; Oestroform; Oestrone; Oestroperos; Ovifollin; Perlatan; Solliculin; Theelin; Thelykinin; Thynestron; Tokokin; Unden; Unden (pharmaceutical); Wynestron; 1,3,5(10)-Estratrien-3-ol-17-one; delta-1,3,5-Estratrien-3β-ol-17-one; delta-1,3,5-Oestratrien-3β-ol-17-one; Estrona; Estrone-A; Fem-O-Gen; Hormestrin; Ketohydroxy-Estratriene; Menformon A; Mestronaq; Thelestrin; 1,3,5(10)-Oestratrien-3-ol-17-one; 3-Hydroxy-oestra-1,3,5(10)-trien-17-one; 3-Hydroxy-1,3,5(10)-oestratrien-17-one; 3-Hydroxy-17-keto-estra-1,3,5-triene; 3-Hydroxy-17-keto-oestra-1,3,5-triene; 3-Hydroxyestra-1,3,5(10)-trien-17-one; E(sub 1); Estrin; Folliculine; Folliculine benzoate; Ketohydroxyoestrin; 1,3,5-Oestratrien-3-ol-17-one; 3-Hydroxyestra-1,3,5(10)-triene-17-one; Femestrone inj.; Fermidyn; Follidrin (tablets); WAY 164397; Δ-1,3,5(10)-Estratrien-3-ol-17-one; (+)-Estrone; Folliculinum
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Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	CP Sil 5 CB	200.	2736.6	Novakovic, Tvrzicka, et al., 1995	Column length: 10. m; Column diameter: 0.25 mm
Capillary	CP Sil 5 CB	205.	2755.9	Novakovic, Tvrzicka, et al., 1995	Column length: 10. m; Column diameter: 0.25 mm
Capillary	CP Sil 5 CB	210.	2756.2	Novakovic, Tvrzicka, et al., 1995	Column length: 10. m; Column diameter: 0.25 mm

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	2693.8	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

References

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Novakovic, Tvrzicka, et al., 1995
Novakovic, J.; Tvrzicka, E.; Vsetecka, V.; Pouzar, V.; Feltl, L., Capillary gas-chromatographic retention behavior and physico-chemical properties of underivatized equine estrogens, Collect. Czech. Chem. Commun., 1995, 60, 5, 813-819, https://doi.org/10.1135/cccc19950813 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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