| 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 |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AUXxzIIcNMy |
|---|---|
| Name | Mestranol |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 855871 |
| CAS Registry Number | 72-33-3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O2 |
| 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 |
| Observed nucleus | 1H |
| Purity | 99% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | (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 17alpha-Ethynylestradiol 3-methyl ether 3-Methoxy-17alpha-ethynylestradiol |
| Wiley ID | SIAL_1HNMR_010419 |