| SpectraBase Compound ID | 4ngsEhJaXZF |
|---|---|
| InChI | InChI=1S/C27H44F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1 |
| InChIKey | RQMLBMYSESIXNJ-OANHQPRKSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C27H44F2O |
| Exact Mass | 422.336022 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYMo5hj3eRI |
|---|---|
| Name | 5-ALPHA,6-ALPHA-DIFLUOROCHOLESTAN-3-ONE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44F2O |
| InChI | InChI=1S/C27H44F2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1 |
| InChIKey | RQMLBMYSESIXNJ-OANHQPRKSA-N |
| Literature Reference Author | R.F.MERRITT,T.E.STEVENS |
| Literature Reference Citation | J.AM.CHEM.SOC.,88,1822(1966) |
| Literature Reference DOI | 10.1021/ja00960a047 |
| Solvent | Unknown |
| Source File Reference | UWPS2158 |