| SpectraBase Compound ID | 7bbdLj5kEO |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey | CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3DplEmoqxFJ |
|---|---|
| Name | Ethisterone |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 285811 |
| CAS Registry Number | 434-03-7 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey | CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 17a-Ethynyltestosterone, 17beta-Hydroxy-4,17a-pregnen-20-yn-3-one, 4,17a-Pregnen-17beta-ol-20-yn-3-one |
| Wiley ID | SIAL_13CNMR_005392 |