17α-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol
Compound with spectra: 5 NMR, 8 FTIR, 2 Raman, and 4 MS (GC)
| SpectraBase Compound ID | 2MTGg3B8nSn |
|---|---|
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
| Enantiomer InChIKey | IMSSROKUHAOUJS-WRTQPQOASA-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 © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | RCM-17-61-MeEE2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | PG-1982-1726-0 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | R188018 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1570-000 |
| 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 | 855871 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | 855871 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1570-000 |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | R188018 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | 85587-1 |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma Chemical Company, St. Louis, Missouri |
| Technique | KBr WAFER |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E1570-000 |
| Technique | KBr1 0.82mg |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | SIGMA CHEMICAL COMPANY |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | 855871 |
| Solvent | CDCl3 |
- Mestranol
- 1,3,5(10)-Estratrien-17a-ethynyl-3,17b-diol 3-methyl ether
- DELTA-MVE
- 19-NORPREGNA-1,3,5/10/-TRIEN-20-YNE-3,17-DIOL, 3-METHOXY-,
- 19-NOR-17A-PREGNA-1,3,5/10/-TRIEN-20- YN-17-OL, 3-METHOXY-,
- (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- 3-Methoxy-17alpha-ethynylestradiol
- 17alpha-Ethynylestradiol 3-methyl ether
- (17alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
- 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol 3-methyl ether
- (8S,9S,13S,14S,17S)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-\r6H-cyclopenta[a]phenanthren-17-ol
Ethinylestradiol-3-tms
17-ALPHA-3-HYDROXYPROPYNE-ESTRADIOL
(8R,9S,13S,14S,17S)-17-(5-chloranylpent-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Estra-1,3,5(10)-triene-17-carboxaldehyde, 17-hydroxy-3-methoxy-, (17.beta.)-
19-Norpregna-1,3,5(10),20-tetraen-17-ol, 3-methoxy-, (17.alpha.)-
17-.alpha.-Deuteriomethyl-3-O-ethoxymethyl-17.beta.-estradiol
3-Methoxy-17.alpha.-(trideuteriomethyl)estra-1,3,5(10)-trien-17.beta.-ol
3-[(8R,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-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-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl ester
| Title | Journal or Book | Year |
|---|---|---|
| Microbial Transformation of Mestranol by Cunninghamella elegans | Chemical and Pharmaceutical Bulletin | 2005 |