| SpectraBase Compound ID | EzGfoQ1Koa9 |
|---|---|
| InChI | InChI=1S/C27H43FO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24H,6-9,11-16H2,1-5H3 |
| InChIKey | YYZXUTMGNZRCLY-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 | DmwGFJSo3gW |
|---|---|
| Name | Cholest-5-en-4-one, 3.beta.-fluoro- |
| CAS Registry Number | 31756-68-0 |
| 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)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24H,6-9,11-16H2,1-5H3 |
| InChIKey | YYZXUTMGNZRCLY-UHFFFAOYSA-N |
| Molecular Weight | 402.638 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CC=C2C(=O)C(CC1)F |
| SPLASH | splash10-0zg0-5942200000-96f9bf65220eb3dfa324 |
| Source of Spectrum | OS-5-245-0 |
| Synonyms | 3-Fluorocholest-5-en-4-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-4-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-4-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-4-one 3.beta.-Fluoro-4-oxo-5-cholestene |
| Wiley ID | 1370639 |