| SpectraBase Compound ID | 5UD1rljFrS8 |
|---|---|
| InChI | InChI=1S/C29H47FO2/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30)26-16-21(32-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21?,22?,23-,24?,25?,28-,29-/m1/s1 |
| InChIKey | YLERYUKJFJZGKB-ATKHMJEASA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H47FO2 |
| Exact Mass | 446.356009 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JRQGhcTKDXK |
|---|---|
| Name | 6-Fluorochlesteryl acetate |
| CAS Registry Number | 75676-29-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47FO2 |
| InChI | InChI=1S/C29H47FO2/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30)26-16-21(32-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21?,22?,23-,24?,25?,28-,29-/m1/s1 |
| InChIKey | YLERYUKJFJZGKB-ATKHMJEASA-N |
| Molecular Weight | 446.691 g/mol |
| SMILES | [C@]12(C(=C(F)CC3C2CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CCC32)[H])C)CC(OC(=O)C)CC1)C |
| SPLASH | splash10-0a5l-9102000000-a85b2dde5e5a03b22125 |
| Source of Spectrum | J-50-2009-2 |
| Synonyms | 6-Fluorocholest-5-en-3-yl acetate |
| Wiley ID | 1386806 |