| 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 | K4qLYfiE7l4 |
|---|---|
| Name | DL-15-DEOXY-16-HYDROXY-16-(TRIFLUOROMETHYL)-PROSTAGLANDIN-E2,EPIMER-2 |
| CAS Registry Number | 73397-61-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | S.M.L.CHEN,C.V.GRUDZINSKAS |
| Literature Reference Citation | J.ORG.CHEM.,45,2278(1980) |
| Literature Reference DOI | 10.1021/jo01300a002 |
| Molecular Weight | 420.469 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17569 |