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#36;TERT.-BUTYL-2-[2-[2-[3-[4-[5-(4-FLUOROPHENYL)-1-[2-[(4R,6S)-6-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBO
SpectraBase Compound ID CBV38lPAX7p
InChI InChI=1S/C51H69FN2O10/c1-36(2)47-46(49(57)53-41-21-15-37(16-22-41)12-11-27-58-28-29-59-30-31-60-32-33-61-35-44(56)64-50(3,4)5)45(38-13-9-8-10-14-38)48(39-17-19-40(52)20-18-39)54(47)25-23-42-34-43(24-26-55)63-51(6,7)62-42/h8-10,13-22,36,42-43,55H,11-12,23-35H2,1-7H3,(H,53,57)/t42-,43+/m1/s1
InChIKey GFXZYRBDMYWNCB-QAZBPYKKSA-N
Mol Weight 889.1 g/mol
Molecular Formula C51H69FN2O10
Exact Mass 888.493625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8u2TCQvjoxu
Name #36;TERT.-BUTYL-2-[2-[2-[3-[4-[5-(4-FLUOROPHENYL)-1-[2-[(4R,6S)-6-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H69FN2O10
InChI InChI=1S/C51H69FN2O10/c1-36(2)47-46(49(57)53-41-21-15-37(16-22-41)12-11-27-58-28-29-59-30-31-60-32-33-61-35-44(56)64-50(3,4)5)45(38-13-9-8-10-14-38)48(39-17-19-40(52)20-18-39)54(47)25-23-42-34-43(24-26-55)63-51(6,7)62-42/h8-10,13-22,36,42-43,55H,11-12,23-35H2,1-7H3,(H,53,57)/t42-,43+/m1/s1
InChIKey GFXZYRBDMYWNCB-QAZBPYKKSA-N
Literature Reference Author P.SAWANT,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6576(2012)
Molecular Weight 889.115 g/mol
Solvent CDCl3
Source File Reference UWLU83694