| SpectraBase Compound ID | Eo4iElsNB53 |
|---|---|
| InChI | InChI=1S/C27H43FO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23H,6-14,16H2,1-5H3 |
| InChIKey | JSNWCUZXBLJXQV-UHFFFAOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C27H43FO |
| Exact Mass | 402.329794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BRiYLcttLcl |
|---|---|
| Name | Cholest-4-en-6-one, 3.beta.-fluoro- |
| Alternate Name(s) | 3-Fluorocholest-4-en-6-one 17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 3-Fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 3-Fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one 3.beta.-Fluoro-6-oxo-4-cholestene |
| CAS Registry Number | 31756-69-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43FO |
| InChI | InChI=1S/C27H43FO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23H,6-14,16H2,1-5H3 |
| InChIKey | JSNWCUZXBLJXQV-UHFFFAOYSA-N |
| Molecular Weight | 402.638 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC(C2=CC(CC1)F)=O |
| SPLASH | splash10-014i-0119000000-8ad68b9b7b5f9fa7fa2c |
| Source of Spectrum | O-5-716-10 |
| Wiley ID | 1370642 |