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5,11,17,23,29,35-HEXAHYDROXY-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
SpectraBase Compound ID 2efYesLzF5O
InChI InChI=1S/C48H48O12/c1-55-43-25-7-27-15-38(50)17-29(44(27)56-2)9-31-19-40(52)21-33(46(31)58-4)11-35-23-42(54)24-36(48(35)60-6)12-34-22-41(53)20-32(47(34)59-5)10-30-18-39(51)16-28(45(30)57-3)8-26(43)14-37(49)13-25/h13-24,49-54H,7-12H2,1-6H3
InChIKey FCTQYZYSWLWVIU-UHFFFAOYSA-N
Mol Weight 816.9 g/mol
Molecular Formula C48H48O12
Exact Mass 816.314577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfyeopH9IRj
Name 5,11,17,23,29,35-HEXAHYDROXY-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
Compound Number 11(6)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48O12
InChI InChI=1S/C48H48O12/c1-55-43-25-7-27-15-38(50)17-29(44(27)56-2)9-31-19-40(52)21-33(46(31)58-4)11-35-23-42(54)24-36(48(35)60-6)12-34-22-41(53)20-32(47(34)59-5)10-30-18-39(51)16-28(45(30)57-3)8-26(43)14-37(49)13-25/h13-24,49-54H,7-12H2,1-6H3
InChIKey FCTQYZYSWLWVIU-UHFFFAOYSA-N
Literature Reference Author A.CASNATI,S.BARBOSO,H.ROUQUETTE,M.J.SCHWING-WEILL,F.ARNAUD-N EU,J.F.DOZOL,R.UNGAR
Literature Reference Citation J.AM.CHEM.SOC.,123,12182(2001)
Literature Reference DOI 10.1021/ja016597f
Molecular Weight 816.902 g/mol
Solvent DMSO-D6
Source File Reference UWSI24130