| SpectraBase Compound ID | K0XyjxtopmZ |
|---|---|
| InChI | InChI=1S/C22H33FO5S/c1-14(24)28-20-7-6-18-17-5-4-15-12-16(23)8-11-22(15,13-27-29(3,25)26)19(17)9-10-21(18,20)2/h4,16-20H,5-13H2,1-3H3 |
| InChIKey | QWKZEYFBMZEDTI-UHFFFAOYSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C22H33FO5S |
| Exact Mass | 428.203273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2f8yqf2TuRp |
|---|---|
| Name | Androst-5-ene-17,19-diol, 3-fluoro-, 17-acetate 3-methanesulfonate, (3.beta.,17.beta.)- |
| CAS Registry Number | 28344-71-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33FO5S |
| InChI | InChI=1S/C22H33FO5S/c1-14(24)28-20-7-6-18-17-5-4-15-12-16(23)8-11-22(15,13-27-29(3,25)26)19(17)9-10-21(18,20)2/h4,16-20H,5-13H2,1-3H3 |
| InChIKey | QWKZEYFBMZEDTI-UHFFFAOYSA-N |
| Molecular Weight | 428.559 g/mol |
| SMILES | C(OS(C)(=O)=O)C12C3C(C4C(CC3)(C)C(OC(C)=O)CC4)CC=C2CC(CC1)F |
| SPLASH | splash10-001i-0139000000-729bcb3c35102e612106 |
| Source of Spectrum | O-4-354-7 |
| Synonyms | Androst-5-ene-17.beta.,19-diol, 3.alpha.-fluoro-, 17-acetate methanesulfonate 3-Fluoro-19-[(methylsulfonyl)oxy]androst-5-en-17-yl acetate Androst-5-ene-17.beta.,19-diol, 3.beta.-fluoro-, 17-acetate methanesulfonate [3-fluoro-13-methyl-10-(methylsulfonyloxymethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate [3-fluoranyl-13-methyl-10-(methylsulfonyloxymethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Wiley ID | 1380650 |