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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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
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| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | THE WORCESTER FOUNDATION FOR EXPERIMENTAL BIOLOGY, Neal L. McNiven |
| Source reference | COBLENTZ NO. 5481 |
| Date | 1963/05/23 |
| Name(s) | ESTRONE |
| State | SOLID (KBr DISC) |
| Instrument | BECKMAN IR-7 |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Gas Chromatography
Go To: Top, IR Spectrum, References, Notes
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
| 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
| 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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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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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