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(1'R,2'R,5'R)-5,11,17,23,29,35-HEXA-TERT.-BUTYL-38,39,40,41,42-PENTAHYDROXY-37-(TRANS-MYRTANYLOXY)-CALIX-[6]-ARENE
SpectraBase Compound ID 5kYO8DOJz6L
InChI InChI=1S/C77H102O6/c1-71(2,3)58-30-44-21-22-45-31-59(72(4,5)6)41-56(70(45)83-43-46-23-24-57-42-64(46)77(57,19)20)29-55-40-63(76(16,17)18)39-54(69(55)82)28-53-38-62(75(13,14)15)37-52(68(53)81)27-51-36-61(74(10,11)12)35-50(67(51)80)26-49-34-60(73(7,8)9)33-48(66(49)79)25-47(32-58)65(44)78/h30-41,46,57,64,78-82H,21-29,42-43H2,1-20H3/t46-,57+,64+/m1/s1
InChIKey QTNGBYSPQQYHOL-HAPPXUJPSA-N
Mol Weight 1123.7 g/mol
Molecular Formula C77H102O6
Exact Mass 1122.767641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZHEdNgU5K5
Name (1'R,2'R,5'R)-5,11,17,23,29,35-HEXA-TERT.-BUTYL-38,39,40,41,42-PENTAHYDROXY-37-(TRANS-MYRTANYLOXY)-CALIX-[6]-ARENE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C77H102O6
InChI InChI=1S/C77H102O6/c1-71(2,3)58-30-44-21-22-45-31-59(72(4,5)6)41-56(70(45)83-43-46-23-24-57-42-64(46)77(57,19)20)29-55-40-63(76(16,17)18)39-54(69(55)82)28-53-38-62(75(13,14)15)37-52(68(53)81)27-51-36-61(74(10,11)12)35-50(67(51)80)26-49-34-60(73(7,8)9)33-48(66(49)79)25-47(32-58)65(44)78/h30-41,46,57,64,78-82H,21-29,42-43H2,1-20H3/t46-,57+,64+/m1/s1
InChIKey QTNGBYSPQQYHOL-HAPPXUJPSA-N
Literature Reference Author S.KONRAD,M.BOLTE,C.NAETHER,U.LUENING
Literature Reference Citation EUR.J.ORG.CHEM.,4717(2006)
Molecular Weight 1123.653 g/mol
Sample ID 32641
Solvent CDCl3