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DL-15-Deoxy-16-hydroxy-16-(difluoromethyl)-prostaglandin-E2,epimer-1
SpectraBase Compound ID H076daGdYI1
InChI InChI=1S/C21H32F2O5/c1-2-3-12-21(28,20(22)23)13-8-10-16-15(17(24)14-18(16)25)9-6-4-5-7-11-19(26)27/h4,6,8,10,15-16,18,20,25,28H,2-3,5,7,9,11-14H2,1H3,(H,26,27)/b6-4+,10-8+
InChIKey MKQXQVMBBBXUBL-ONNLMXTPSA-N
Mol Weight 402.5 g/mol
Molecular Formula C21H32F2O5
Exact Mass 402.22178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bwm3SbkMKA8
Name DL-15-DEOXY-16-HYDROXY-16-(DIFLUOROMETHYL)-PROSTAGLANDIN-E2,EPIMER-1
CAS Registry Number 73397-62-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32F2O5
InChI InChI=1S/C21H32F2O5/c1-2-3-12-21(28,20(22)23)13-8-10-16-15(17(24)14-18(16)25)9-6-4-5-7-11-19(26)27/h4,6,8,10,15-16,18,20,25,28H,2-3,5,7,9,11-14H2,1H3,(H,26,27)/b6-4+,10-8+
InChIKey MKQXQVMBBBXUBL-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 402.479 g/mol
Solvent CDCl3
Source File Reference UNIW17560