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#16;(19R,20S)-20-FLUORO-19-(HYDROXYMETHYL)-4-METHYL-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29),2(6),7(30),8,10,12,
SpectraBase Compound ID KsT9ezMAIQ0
InChI InChI=1S/C28H26FN3O4/c1-30-27(34)25-19-13-31(22-9-4-2-7-17(19)22)11-6-12-36-24(16-33)21(29)15-32-14-20(26(25)28(30)35)18-8-3-5-10-23(18)32/h2-5,7-10,13-14,21,24,33H,6,11-12,15-16H2,1H3/t21-,24+/m0/s1
InChIKey IBNXGSDFHVCTGN-XUZZJYLKSA-N
Mol Weight 487.53 g/mol
Molecular Formula C28H26FN3O4
Exact Mass 487.190734 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53SXkN8wzYO
Name #16;(19R,20S)-20-FLUORO-19-(HYDROXYMETHYL)-4-METHYL-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29),2(6),7(30),8,10,12,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26FN3O4
InChI InChI=1S/C28H26FN3O4/c1-30-27(34)25-19-13-31(22-9-4-2-7-17(19)22)11-6-12-36-24(16-33)21(29)15-32-14-20(26(25)28(30)35)18-8-3-5-10-23(18)32/h2-5,7-10,13-14,21,24,33H,6,11-12,15-16H2,1H3/t21-,24+/m0/s1
InChIKey IBNXGSDFHVCTGN-XUZZJYLKSA-N
Literature Reference Author P.G.GOEKJIAN,G.Z.WU,S.CHEN,L.ZHOU,M.R.JIROUSEK,J.R.GILLIG,L. M.BALLAS,J.T.DIXON
Literature Reference Citation J.ORG.CHEM.,64,4238(1999)
Literature Reference DOI 10.1021/jo9808876
Solvent CDCl3
Source File Reference UWSI41117