Ethynylestradiol
Compound with spectra: 6 NMR, 8 FTIR, 2 Raman, and 4 MS (GC)
| SpectraBase Compound ID | 7iOWyh7KO4G |
|---|---|
| InChI | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | BFPYWIDHMRZLRN-SLHNCBLASA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C20H24O2 |
| Exact Mass | 296.17763 g/mol |
| Enantiomer InChIKey | BFPYWIDHMRZLRN-CENDIDJXSA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Dr. Makin, London Hospital Medical College, UK |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Cayman Chemical Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 10006486 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1550-000 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | E4876 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 285862 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 285862 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories |
| Catalog Number | E4876 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1550-000 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. MERCK AG, DARMSTADT, GERMANY |
| Technique | KBr WAFER |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | E4876 |
| Technique | KBr1 |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1550-000 |
| Technique | KBr1 0.75mg |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. MERCK AG, DARMSTADT, GERMANY |
| Technique | KBr WAFER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 285862 |
| Solvent | CDCl3 |
- Ethynyl E2
- Ethynyl 17β-Oestradiol
- Ethynyl β-estradiol
- Ethynyl 17β-estradiol
- 19-Norpregna-1,3,5(10)-trien-20-yne-3,17α-diol
- 19-nor-1,3,5(10),17a-Pregnatrien-20-yne-3,17-diol
- 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol
- 1,3,5(10)-Estratrien-17a-ethynyl-3,17b-diol
- 17alpha-Ethynylestradiol
- 17-ALPHA-ETHINYL-ESTRADIOL
- 17-ALPHA-ETHYNE-ESTRADIOL
- Ethinylestradiol
- NOVESTROL
- ESTINYL
- 17-ETHYNYLESTRADIOL
- ESTRADIOL, 17-ETHYNYL-,
- ESTRA-1,3,5/10/-TRIENE-3,17B-DIOL, 17-ETHYNYL-,
- 17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL
- (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- 19-Nor-17alpha-Pregna-1,3,5(10)trien-20-yne-3,17-diol
- 17-ETHYNYLESTRA-1,3,5(10)-TRIENE-3,17-DIOL
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
3-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanenitrile
2-Bromoacetic acid 3-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl ester
N-[3-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl]ethanamide
17-ALPHA-ALLYL-ESTRADIOL
2-iodanyl-N-[3-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl]ethanamide
2-Bromanyl-N-[2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl]ethanamide
2-Bromanyl-N-[3-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl]ethanamide
LDSJZRMFVARYLC-MCHRXKHYSA-N
17-ALPHA-ETHYLBENZENE-ESTRADIOL
| Title | Journal or Book | Year |
|---|---|---|
| 13C nuclear magnetic resonance study of 17α-substituted estradiols | Steroids | 1995 |
This compound is available in the following databases:
Mass Spectra of Physiologically Active Substances - including drugs, steroid hormones,and endocrine disruptors 2011
Author: Parr, Maria Kristina; Opfermann, Georg; Schänzer, Wilhelm; Makin, Hugh L. J.
Fast and reliable identification of trace steroids requires an up-to-date library covering most known and newly emerging steroids. It is updated annually. Learn more.
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Cayman Chemical Company |