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11,23,35-TRI-TERT.-BUTYL-4,6,16,18,28,30,37,38,39,40,42-DODECAHYDROXY-CALIX-[6]-ARENE
SpectraBase Compound ID D8OYCqIXNqS
InChI InChI=1S/C54H60O12/c1-52(2,3)31-10-25-16-34-40(55)22-42(57)36(49(34)64)18-27-12-32(53(4,5)6)14-29(47(27)62)20-38-44(59)24-45(60)39(51(38)66)21-30-15-33(54(7,8)9)13-28(48(30)63)19-37-43(58)23-41(56)35(50(37)65)17-26(11-31)46(25)61/h10-15,22-24,55-66H,16-21H2,1-9H3
InChIKey SNJUYTKHDMZTFR-UHFFFAOYSA-N
Mol Weight 901.1 g/mol
Molecular Formula C54H60O12
Exact Mass 900.408477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIdVGxTn2uO
Name 11,23,35-TRI-TERT.-BUTYL-4,6,16,18,28,30,37,38,39,40,42-DODECAHYDROXY-CALIX-[6]-ARENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H60O12
InChI InChI=1S/C54H60O12/c1-52(2,3)31-10-25-16-34-40(55)22-42(57)36(49(34)64)18-27-12-32(53(4,5)6)14-29(47(27)62)20-38-44(59)24-45(60)39(51(38)66)21-30-15-33(54(7,8)9)13-28(48(30)63)19-37-43(58)23-41(56)35(50(37)65)17-26(11-31)46(25)61/h10-15,22-24,55-66H,16-21H2,1-9H3
InChIKey SNJUYTKHDMZTFR-UHFFFAOYSA-N
Literature Reference Author S.SATO,A.YASHIRO,N.TSUSHIMA,K.HOSAKA
Literature Reference Citation CHEM.PHARM.BULL.,56,1173(2008)
Literature Reference DOI 10.1248/cpb.56.1173
Molecular Weight 901.063 g/mol
Sample ID 2087
Solvent DMSO-D6:D2O