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#11;([2-BENZYLOXY-4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-PHENYL]-TERT.-BUTOXYCARBONYLMETHYL-AMINO)-ACETIC-ACID-TERT.-BUTY

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#11;([2-BENZYLOXY-4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-PHENYL]-TERT.-BUTOXYCARBONYLMETHYL-AMINO)-ACETIC-ACID-TERT.-BUTY
SpectraBase Compound ID HLYEtPwNO1W
InChI InChI=1S/C46H55F2NO13/c1-44(2,3)61-42(50)25-49(26-43(51)62-45(4,5)6)36-15-14-31(20-41(36)57-27-30-12-10-9-11-13-30)46(52)32-21-34(47)39(58-28-55-18-16-53-7)23-37(32)60-38-24-40(35(48)22-33(38)46)59-29-56-19-17-54-8/h9-15,20-24,52H,16-19,25-29H2,1-8H3
InChIKey OVIQPGFJTNUJBX-UHFFFAOYSA-N
Mol Weight 867.9 g/mol
Molecular Formula C46H55F2NO13
Exact Mass 867.364147 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Aquf5RJKjg
Name #11;([2-BENZYLOXY-4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-PHENYL]-TERT.-BUTOXYCARBONYLMETHYL-AMINO)-ACETIC-ACID-TERT.-BUTY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H55F2NO13
InChI InChI=1S/C46H55F2NO13/c1-44(2,3)61-42(50)25-49(26-43(51)62-45(4,5)6)36-15-14-31(20-41(36)57-27-30-12-10-9-11-13-30)46(52)32-21-34(47)39(58-28-55-18-16-53-7)23-37(32)60-38-24-40(35(48)22-33(38)46)59-29-56-19-17-54-8/h9-15,20-24,52H,16-19,25-29H2,1-8H3
InChIKey OVIQPGFJTNUJBX-UHFFFAOYSA-N
Literature Reference Author C.A.CHEN,R.H.YEH,D.S.LAWRENCE
Literature Reference Citation J.AM.CHEM.SOC.,124,3840(2002)
Literature Reference DOI 10.1021/ja017530v
Solvent CDCl3
Source File Reference UWLU49148