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11,23,35-TRI-TERT.-BUTYL-37,39,41-TRIHYDROXY-4,6,16,18,28,30,38,40,42-NONAMETHOXY-CALIX-[6]-ARENE
SpectraBase Compound ID 8B2ES4yFFSE
InChI InChI=1S/C63H78O12/c1-61(2,3)40-19-34-25-43-49(67-10)31-51(69-12)45(58(43)73-16)27-36-21-41(62(4,5)6)23-38(56(36)65)29-47-53(71-14)33-54(72-15)48(60(47)75-18)30-39-24-42(63(7,8)9)22-37(57(39)66)28-46-52(70-13)32-50(68-11)44(59(46)74-17)26-35(20-40)55(34)64/h19-24,31-33,64-66H,25-30H2,1-18H3
InChIKey CXPAZSVABQAWNR-UHFFFAOYSA-N
Mol Weight 1027.3 g/mol
Molecular Formula C63H78O12
Exact Mass 1026.549328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY3pISkdRiK
Name 11,23,35-TRI-TERT.-BUTYL-37,39,41-TRIHYDROXY-4,6,16,18,28,30,38,40,42-NONAMETHOXY-CALIX-[6]-ARENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H78O12
InChI InChI=1S/C63H78O12/c1-61(2,3)40-19-34-25-43-49(67-10)31-51(69-12)45(58(43)73-16)27-36-21-41(62(4,5)6)23-38(56(36)65)29-47-53(71-14)33-54(72-15)48(60(47)75-18)30-39-24-42(63(7,8)9)22-37(57(39)66)28-46-52(70-13)32-50(68-11)44(59(46)74-17)26-35(20-40)55(34)64/h19-24,31-33,64-66H,25-30H2,1-18H3
InChIKey CXPAZSVABQAWNR-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 1027.305 g/mol
Sample ID 2086
Solvent CDCl3