| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E2u7WHfvOIa |
|---|---|
| Name | 3,3-Difluoro-4-cholestene |
| Alternate Name(s) | 3,3-Difluorocholest-4-ene 3,3-Dihydroxy-4-cholestene (8S,9S,10R,13R,14S,17R)-3,3-difluoro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (8S,9S,10R,13R,14S,17R)-3,3-bis(fluoranyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SPLASH | splash10-000j-2619200000-5753a7c0328490efcff4 |
| Source of Spectrum | D1-1997-573-7 |
| Wiley ID | 834904 |