| SpectraBase Compound ID | JhEhEFuuaCW |
|---|---|
| InChI | InChI=1S/C23H29BrO2/c1-22-12-9-19-18-8-6-17(25)15-16(18)5-7-20(19)21(22)10-13-23(22,26)11-3-2-4-14-24/h6,8,15,19-21,25-26H,2,4-5,7,9-10,12-14H2,1H3/t19-,20-,21+,22+,23+/m1/s1 |
| InChIKey | WPYJZBQYVHXTHB-VROINQGHSA-N |
| Mol Weight | 417.39 g/mol |
| Molecular Formula | C23H29BrO2 |
| Exact Mass | 416.135093 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C2ykMDiKwb7 |
|---|---|
| Name | 17-.alpha.-(5'-Bromo-1'-pentynyl)-1,3,5(10)-estratriene-3,17-.beta.-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H29BrO2 |
| InChI | InChI=1S/C23H29BrO2/c1-22-12-9-19-18-8-6-17(25)15-16(18)5-7-20(19)21(22)10-13-23(22,26)11-3-2-4-14-24/h6,8,15,19-21,25-26H,2,4-5,7,9-10,12-14H2,1H3/t19-,20-,21+,22+,23+/m1/s1 |
| InChIKey | WPYJZBQYVHXTHB-VROINQGHSA-N |
| Molecular Weight | 417.387 g/mol |
| SMILES | Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(C#CCCCBr)O)(CC[C@]23[H])C)[H])[H])c1 |
| SPLASH | splash10-08ir-0790400000-dbda6ab1a78021e07c92 |
| Source of Spectrum | SK-24-742-0 |
| Wiley ID | 866182 |