| SpectraBase Compound ID | IXPYv8v8X5q |
|---|---|
| InChI | InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11?,14?,15?,16-,18?,19?,20-,21-/m0/s1 |
| InChIKey | PFAGPIFFRLDBRN-PETKTSMBSA-N |
| Mol Weight | 378.44 g/mol |
| Molecular Formula | C21H27FO5 |
| Exact Mass | 378.184252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Ly9ghCMswy |
|---|---|
| Name | 9.alpha.-Fluoro-11.beta.,17a-dihydroxy-16.beta.-methyl-3-oxoandrosta-1,4-diene-17.beta.-carboxylic Acid |
| Appearance | White crystalline powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27FO5 |
| InChI | InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11?,14?,15?,16-,18?,19?,20-,21-/m0/s1 |
| InChIKey | PFAGPIFFRLDBRN-PETKTSMBSA-N |
| Ionization Type | EI |
| Molecular Weight | 378.440 g/mol |
| SMILES | O[C@@]1(C(=O)O)C2(C[C@@]([C@@]3(C4(C=CC(C=C4CCC3C2CC1C)=O)C)F)(O)[H])C |
| SPLASH | splash10-00di-0901000000-6c6c2ae05af27f621b6d |
| Source of Spectrum | US20200181191A1 |
| Wiley ID | 1879814 |