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7,13,19,25-TETRA-TERT.-BUTYL-28-METHOXY-27,29,30-TRIHYDROXY-2,3-DIHOMO-3-OXACALIX-[4]-ARENE
SpectraBase Compound ID HK45lHj3xLe
InChI InChI=1S/C46H60O5/c1-43(2,3)35-17-27-14-28-18-36(44(4,5)6)23-33(40(28)48)25-51-26-34-24-37(45(7,8)9)20-30(41(34)49)16-32-22-38(46(10,11)12)21-31(42(32)50-13)15-29(19-35)39(27)47/h17-24,47-49H,14-16,25-26H2,1-13H3
InChIKey JYQDJMOVSWFUGZ-UHFFFAOYSA-N
Mol Weight 693.0 g/mol
Molecular Formula C46H60O5
Exact Mass 692.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1T7jPQm6oQo
Name 7,13,19,25-TETRA-TERT.-BUTYL-28-METHOXY-27,29,30-TRIHYDROXY-2,3-DIHOMO-3-OXACALIX-[4]-ARENE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H60O5
InChI InChI=1S/C46H60O5/c1-43(2,3)35-17-27-14-28-18-36(44(4,5)6)23-33(40(28)48)25-51-26-34-24-37(45(7,8)9)20-30(41(34)49)16-32-22-38(46(10,11)12)21-31(42(32)50-13)15-29(19-35)39(27)47/h17-24,47-49H,14-16,25-26H2,1-13H3
InChIKey JYQDJMOVSWFUGZ-UHFFFAOYSA-N
Literature Reference Author P.M.MARCOS,J.R.ASCENSO,R.LAMARTINE,J.L.C.PEREIRA
Literature Reference Citation J.ORG.CHEM.,63,69(1998)
Literature Reference DOI 10.1021/jo971001l
Molecular Weight 692.979 g/mol
Sample ID 27784
Solvent CDCl3