| SpectraBase Compound ID | 992KZcfLC5d |
|---|---|
| InChI | InChI=1S/C21H29F5O2/c1-12(27)28-13-4-7-17(2)15-5-8-18(3)16(6-9-20(18,23)24)14(15)11-21(25,26)19(17,22)10-13/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18-,19+/m0/s1 |
| InChIKey | AKQLIPFEXVHXQA-RMVVIVTNSA-N |
| Mol Weight | 408.45 g/mol |
| Molecular Formula | C21H29F5O2 |
| Exact Mass | 408.208771 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIdCdsdPO4D |
|---|---|
| Name | 5-ALPHA,6,6,17,17-PENTAFLUORO-ANDROSTAN-3-BETA-OL-ACETATE |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29F5O2 |
| InChI | InChI=1S/C21H29F5O2/c1-12(27)28-13-4-7-17(2)15-5-8-18(3)16(6-9-20(18,23)24)14(15)11-21(25,26)19(17,22)10-13/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18-,19+/m0/s1 |
| InChIKey | AKQLIPFEXVHXQA-RMVVIVTNSA-N |
| Literature Reference Author | G.A.BOSWELL |
| Literature Reference Citation | J.ORG.CHEM.,31,991(1966) |
| Literature Reference DOI | 10.1021/jo01342a001 |
| Solvent | CDCl3 |
| Source File Reference | UWPS2209 |