| SpectraBase Compound ID | KqeXuqN6rYH |
|---|---|
| InChI | InChI=1S/C21H31F3O5/c1-2-3-12-20(29,21(22,23)24)13-8-10-16-15(17(25)14-18(16)26)9-6-4-5-7-11-19(27)28/h4,6,8,10,15-16,18,26,29H,2-3,5,7,9,11-14H2,1H3,(H,27,28)/b6-4+,10-8+ |
| InChIKey | WCQZTKXGUDCWSV-ONNLMXTPSA-N |
| Mol Weight | 420.47 g/mol |
| Molecular Formula | C21H31F3O5 |
| Exact Mass | 420.212359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29ISnX3gq8 |
|---|---|
| Name | DL-15-Deoxy-16-hydroxy-16-(trifluoromethyl)-prostaglandin-E2,epimer-2 |
| CAS Registry Number | 73397-61-2 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H31F3O5 |
| InChI | InChI=1S/C21H31F3O5/c1-2-3-12-20(29,21(22,23)24)13-8-10-16-15(17(25)14-18(16)26)9-6-4-5-7-11-19(27)28/h4,6,8,10,15-16,18,26,29H,2-3,5,7,9,11-14H2,1H3,(H,27,28)/b6-4+,10-8+ |
| InChIKey | WCQZTKXGUDCWSV-ONNLMXTPSA-N |
| Instrument Name | SF = 080 MHz |
| Literature Reference | J. Org. Chem. 45, 2278 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |