| SpectraBase Compound ID | 51yXa7MMboF |
|---|---|
| InChI | InChI=1S/C27H47FO/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(29)15-19(26)16-24(25)28/h17-25,29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1 |
| InChIKey | WPIPMDYYBNVMCN-KKIANDCSSA-N |
| Mol Weight | 406.7 g/mol |
| Molecular Formula | C27H47FO |
| Exact Mass | 406.361094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1xGUZSuxOa |
|---|---|
| Name | 7.alpha/.beta..-Fluoro-5-.alpha.-cholestan-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47FO |
| InChI | InChI=1S/C27H47FO/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(29)15-19(26)16-24(25)28/h17-25,29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1 |
| InChIKey | WPIPMDYYBNVMCN-KKIANDCSSA-N |
| Molecular Weight | 406.670 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@]2(C1)[H])F)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0a4i-0061900000-ca95e3979fc77dfcdbb6 |
| Source of Spectrum | K1-0-3702-25 |
| Wiley ID | 1589260 |