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5,11,17,23-TETRA-TERT.-BUTYL-25,26,27-TRIHYDROXYL-28-OXYURIDINECALIX-[4]-ARENE
SpectraBase Compound ID 7cYHzRu4aUE
InChI InChI=1S/C53H66N2O9/c1-50(2,3)36-19-28-15-30-21-37(51(4,5)6)23-32(43(30)58)17-34-25-39(53(10,11)12)26-35(18-33-24-38(52(7,8)9)22-31(44(33)59)16-29(20-36)42(28)57)47(34)63-27-40-45(60)46(61)48(64-40)55-14-13-41(56)54-49(55)62/h13-14,19-26,40,45-46,48,57-61H,15-18,27H2,1-12H3,(H,54,56,62)/t40-,45-,46-,48-/m1/s1
InChIKey CIVPAPGDHKXDIS-FYYFLKSDSA-N
Mol Weight 875.1 g/mol
Molecular Formula C53H66N2O9
Exact Mass 874.476832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZ01xlpt5iU
Name 5,11,17,23-TETRA-TERT.-BUTYL-25,26,27-TRIHYDROXYL-28-OXYURIDINECALIX-[4]-ARENE
Compound Number CU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H66N2O9
InChI InChI=1S/C53H66N2O9/c1-50(2,3)36-19-28-15-30-21-37(51(4,5)6)23-32(43(30)58)17-34-25-39(53(10,11)12)26-35(18-33-24-38(52(7,8)9)22-31(44(33)59)16-29(20-36)42(28)57)47(34)63-27-40-45(60)46(61)48(64-40)55-14-13-41(56)54-49(55)62/h13-14,19-26,40,45-46,48,57-61H,15-18,27H2,1-12H3,(H,54,56,62)/t40-,45-,46-,48-/m1/s1
InChIKey CIVPAPGDHKXDIS-FYYFLKSDSA-N
Literature Reference Author J.LIANG,H.FU,Y.LIU,L.WANG,Z.YE,X.SHI
Literature Reference Citation CAN.J.CHEM.,81,1019(2003)
Literature Reference DOI 10.1139/v03-125
Molecular Weight 875.115 g/mol
Solvent CDCl3
Source File Reference UWLU30079