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PBQNYDTZBNHVTN-KZICPFDBSA-N

View entire compound with spectra: 2 NMR

PBQNYDTZBNHVTN-KZICPFDBSA-N
SpectraBase Compound ID C79blFq5rOS
InChI InChI=1S/C64H57N2O7P/c1-62(2)70-58-59(71-62)64(52-35-17-7-18-36-52,53-37-19-8-20-38-53)73-74(72-63(58,50-31-13-5-14-32-50)51-33-15-6-16-34-51)69-42-49-29-21-22-39-54(49)48-30-23-24-45(40-48)41-55(60-65-56(43-67-60)46-25-9-3-10-26-46)61-66-57(44-68-61)47-27-11-4-12-28-47/h3-40,55-59H,41-44H2,1-2H3/t55?,56?,57?,58-,59-/m1/s1
InChIKey PBQNYDTZBNHVTN-KZICPFDBSA-N
Mol Weight 997.1 g/mol
Molecular Formula C64H57N2O7P
Exact Mass 996.390339 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hLIbwxMFkt
Name PBQNYDTZBNHVTN-KZICPFDBSA-N
Compound Number (S,S)-#3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H57N2O7P
InChI InChI=1S/C64H57N2O7P/c1-62(2)70-58-59(71-62)64(52-35-17-7-18-36-52,53-37-19-8-20-38-53)73-74(72-63(58,50-31-13-5-14-32-50)51-33-15-6-16-34-51)69-42-49-29-21-22-39-54(49)48-30-23-24-45(40-48)41-55(60-65-56(43-67-60)46-25-9-3-10-26-46)61-66-57(44-68-61)47-27-11-4-12-28-47/h3-40,55-59H,41-44H2,1-2H3/t55?,56?,57?,58-,59-/m1/s1
InChIKey PBQNYDTZBNHVTN-KZICPFDBSA-N
Literature Reference Author J.M.TAKACS,D.S.REDDY,S.AMOTEKI,D.WU,H.PALENCIA
Literature Reference Citation J.AM.CHEM.SOC.,126,4494(2004)
Literature Reference DOI 10.1021/ja049873+
Solvent CDCl3
Source File Reference UWLU36769