| SpectraBase Compound ID | 2sX9Hr05WTz |
|---|---|
| InChI | InChI=1S/C21H32F2O2/c1-12(24)15-4-5-16-14-10-18(22)21(23)11-13(25)6-9-20(21,3)17(14)7-8-19(15,16)2/h13-18,25H,4-11H2,1-3H3 |
| InChIKey | DNBNNRPZQDNDOD-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H32F2O2 |
| Exact Mass | 354.237037 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LJUI7dXe0o4 |
|---|---|
| Name | Pregnan-20-one, 5,6-difluoro-3-hydroxy-, (3.beta.)- |
| Alternate Name(s) | 5,6-Difluoro-3-hydroxypregnan-20-one 1-(5,6-difluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone 1-[5,6-bis(fluoranyl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| CAS Registry Number | 56193-66-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32F2O2 |
| InChI | InChI=1S/C21H32F2O2/c1-12(24)15-4-5-16-14-10-18(22)21(23)11-13(25)6-9-20(21,3)17(14)7-8-19(15,16)2/h13-18,25H,4-11H2,1-3H3 |
| InChIKey | DNBNNRPZQDNDOD-UHFFFAOYSA-N |
| Molecular Weight | 354.482 g/mol |
| SMILES | OC1CC2(C(C)(C3C(C4C(CC3)(C)C(C(C)=O)CC4)CC2F)CC1)F |
| SPLASH | splash10-0006-9831000000-bfd82213fd86ca186023 |
| Source of Spectrum | EP-1325-0-0 |
| Wiley ID | 1344795 |