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#5;(19R,20S)-20-FLUORO-19-(HYDROXYMETHYL)-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),8,10,12,23(28),24,
SpectraBase Compound ID FHBsrgzqHsh
InChI InChI=1S/C27H24FN3O4/c28-20-14-31-13-19(17-7-2-4-9-22(17)31)25-24(26(33)29-27(25)34)18-12-30(10-5-11-35-23(20)15-32)21-8-3-1-6-16(18)21/h1-4,6-9,12-13,20,23,32H,5,10-11,14-15H2,(H,29,33,34)/t20-,23+/m0/s1
InChIKey ZNFBOFOURQIMRJ-NZQKXSOJSA-N
Mol Weight 473.5 g/mol
Molecular Formula C27H24FN3O4
Exact Mass 473.175084 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6lyc2jtD1A
Name #5;(19R,20S)-20-FLUORO-19-(HYDROXYMETHYL)-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),8,10,12,23(28),24,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24FN3O4
InChI InChI=1S/C27H24FN3O4/c28-20-14-31-13-19(17-7-2-4-9-22(17)31)25-24(26(33)29-27(25)34)18-12-30(10-5-11-35-23(20)15-32)21-8-3-1-6-16(18)21/h1-4,6-9,12-13,20,23,32H,5,10-11,14-15H2,(H,29,33,34)/t20-,23+/m0/s1
InChIKey ZNFBOFOURQIMRJ-NZQKXSOJSA-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 UWSI41118