| SpectraBase Compound ID | BplJLcRdIoo |
|---|---|
| InChI | InChI=1S/C22H27F7O/c1-18-9-7-13(20(23,24)21(25,26)22(27,28)29)11-12(18)3-4-14-15-5-6-17(30)19(15,2)10-8-16(14)18/h3,11,14-17,30H,4-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | CRAAPZADUPMJMZ-DYKIIFRCSA-N |
| Mol Weight | 440.45 g/mol |
| Molecular Formula | C22H27F7O |
| Exact Mass | 440.195013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjHv02Mp4l7 |
|---|---|
| Name | 3-HEPTAFLUOROPROPYL-ANDROSTA-3,5-DIEN-17-BETA-OL |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27F7O |
| InChI | InChI=1S/C22H27F7O/c1-18-9-7-13(20(23,24)21(25,26)22(27,28)29)11-12(18)3-4-14-15-5-6-17(30)19(15,2)10-8-16(14)18/h3,11,14-17,30H,4-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | CRAAPZADUPMJMZ-DYKIIFRCSA-N |
| Literature Reference Author | J.R.WILLIAMS,T.J.SHEA |
| Literature Reference Citation | STEROIDS,61,50(1996) |
| Literature Reference DOI | 10.1016/0039-128x(95)00176-q |
| Molecular Weight | 440.445 g/mol |
| Sample ID | 968635 |
| Solvent | CDCl3 |