17β-Estradiol
Compound with spectra: 8 NMR, 5 FTIR, 2 Raman, and 6 MS (GC)
| SpectraBase Compound ID | 4hlPfMhVOrc |
|---|---|
| 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 |
| InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
| Enantiomer InChIKey | VOXZDWNPVJITMN-QXDIGNSFSA-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 © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Spiteller, University Bayreuth, Germany |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Dr. Makin, London Hospital Medical College, UK |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-1694-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-158-0 |
| Catalog Number | ISO00155 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E0950-000 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Schering Corporation, Bloomfield, New Jersey |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| 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 | 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 | 250155 |
| Solvent | DMSO-d6 |
| 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 | 250155 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | E0950-000 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 250155 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | SCHERING CORPORATION, BLOOMFIELD, NEW JERSEY |
| 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 | E0950-000 |
| Technique | KBr1 0.68mg |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | SCHERING CORPORATION |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 250155 |
| Technique | Mull |
- 1,3,5(10)-Estratrien-3,17beta-diol
- ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL
- Estradiol
- ESTRA-1,3,5(10)-TRIENE-3,17BETA-DIOL
- 3,17-beta-DIHYDROXYESTRA-1,3,5(10)-TRIENE
- DIHYDROFOLLICULIN
- DIHYDROTHEELIN
- 17B-ESTRADIOL /OR A-ESTRADIOL/
- ESTRIN, DIHYDROXY-,
- 3,17-beta-ESTRADIOL
- DIHYDROXYESTRIN
- DIHYDROXYOESTRIN
- beta-Estradiol
- ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17beta)-
- (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- DIHYDROFOLLIKULIN
- ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
- (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene-5,14-diol
- (+)-3,17BETA-ESTRADIOL
17-Aminoestra-1,3,5(10)-trien-3-ol
16-Amino-17-methyl-16,17-seco-estra-1,3,5(10)-triene-3,17-diol
(8S,9S,13R,14S,17R)-13-methyl-17-vinyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
(17S)-3,17-Dihydroxy-17-methyl-16,17-seco-estra-1,3,5(10)-triene-16-nitrile
(1S,2R,4aS,10aR)-1-allyl-2-(dimethoxymethyl)-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene
3-Hydroxy-17-methyl-17-oxo-16,17-seco-estra-1,3,5(10)-triene-16-nitrile
16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-(p-Cyanophenyl)-hydrazone
| Title | Journal or Book | Year |
|---|---|---|
| Comparison of 17β-estradiol structures from x-ray diffraction and solution NMR | Magnetic Resonance in Chemistry | 2005 |
| 13C nuclear magnetic resonance study of 17α-substituted estradiols | Steroids | 1995 |
| 13C n.m.r. spectra of steroids —a survey and commentary | Organic Magnetic Resonance | 1977 |