| SpectraBase Compound ID | 2G4p6zSwRKT |
|---|---|
| InChI | InChI=1S/C27H44F2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(28,29)16-15-25(20,4)24(21)13-14-26(22,23)5/h17-19,21-24H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | ZGKQYIAJFZDLAV-NFSSVYEPSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C27H44F2 |
| Exact Mass | 406.341108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPNM3eeWErh |
|---|---|
| Name | 3,3-Difluoro-4-cholestene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.341107743 u |
| Formula | C27H44F2 |
| InChI | InChI=1S/C27H44F2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(28,29)16-15-25(20,4)24(21)13-14-26(22,23)5/h17-19,21-24H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | ZGKQYIAJFZDLAV-NFSSVYEPSA-N |
| Molecular Weight | 406.646 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(F)F |