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DL-15-Deoxy-16-hydroxy-16-(trifluoromethyl)-prostaglandin-E2,epimer-1
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bvmgoz4WYHE
Name DL-15-DEOXY-16-HYDROXY-16-(TRIFLUOROMETHYL)-PROSTAGLANDIN-E2,EPIMER-1
CAS Registry Number 73397-60-1
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 UNIW17559