| SpectraBase Compound ID | IhY9YvBMHFt |
|---|---|
| InChI | InChI=1S/C21H29F5O2/c1-17-9-10-19(28,20(22,23)21(24,25)26)11-12(17)3-4-13-14-5-6-16(27)18(14,2)8-7-15(13)17/h11,13-16,27-28H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | KJIZFQLLCFUVHA-LOVVWNRFSA-N |
| Mol Weight | 408.45 g/mol |
| Molecular Formula | C21H29F5O2 |
| Exact Mass | 408.208771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28XO58W51bx |
|---|---|
| Name | 3-ALPHA-PENTAFLUOROETHYL-ANDROST-4-EN-3-BETA,17-BETA-DIOL |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29F5O2 |
| InChI | InChI=1S/C21H29F5O2/c1-17-9-10-19(28,20(22,23)21(24,25)26)11-12(17)3-4-13-14-5-6-16(27)18(14,2)8-7-15(13)17/h11,13-16,27-28H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | KJIZFQLLCFUVHA-LOVVWNRFSA-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 | 408.452 g/mol |
| Sample ID | 968625 |
| Solvent | CDCl3 |