| SpectraBase Compound ID | EIlCuaFKdNr |
|---|---|
| InChI | InChI=1S/C27H43FO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25H,6-15H2,1-5H3 |
| InChIKey | WZRIOWQZZLVYMW-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 | IeVXznx3Uen |
|---|---|
| Name | Cholest-5-en-7-one, 3-fluoro-, (3.beta.)- |
| Alternate Name(s) | 3-Fluorocholest-5-en-7-one 17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one 3-Fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one 3-Fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one 3.beta.-Fluoro-7-oxo-5-cholestene 3.beta.-Fluorocholest-5-en-7-one Cholest-5-en-7-one, 3.beta.-fluoro- |
| CAS Registry Number | 31772-90-4 |
| 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)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25H,6-15H2,1-5H3 |
| InChIKey | WZRIOWQZZLVYMW-UHFFFAOYSA-N |
| Molecular Weight | 402.638 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(=CC3=O)CC(CC2)F)CCC1C(CCCC(C)C)C |
| SPLASH | splash10-0udl-9720500000-2dd35f61befbacb496f1 |
| Source of Spectrum | OS-5-235-0 |
| Wiley ID | 1370640 |