| SpectraBase Compound ID | 44UlnfjyHwA |
|---|---|
| InChI | InChI=1S/C27H47F/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BLHJQKQSKMFGKZ-FBVYSKEZSA-N |
| Mol Weight | 390.7 g/mol |
| Molecular Formula | C27H47F |
| Exact Mass | 390.36618 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HtHeY2iNWBt |
|---|---|
| Name | 3.alpha.-Fluoro-5.alpha.-cholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47F |
| InChI | InChI=1S/C27H47F/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BLHJQKQSKMFGKZ-FBVYSKEZSA-N |
| Molecular Weight | 390.671 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](F)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05mx-9232000000-35e12efddb7532123886 |
| Source of Spectrum | G-73-1831-2 |
| Synonyms | (3R,5S,8R,9S,10S,13R,14S,17R)-3-fluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (3R,5S,8R,9S,10S,13R,14S,17R)-3-fluoranyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| Wiley ID | 1693152 |