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R-2,C-4,C-14,C-20-TETRA-(CARBOETHOXYETHYL)-PENTACYClO-[19.3.1.1^3,7.1^15,19]-OCTACOSA-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-DODECAEN-4,6,10,12,16,18,2
SpectraBase Compound ID HBzWsqGL2Q3
InChI InChI=1S/C52H64O16/c1-13-65-49(53)21-29-33-17-35(43(59-7)25-41(33)57-5)30(22-50(54)66-14-2)37-19-39(47(63-11)27-45(37)61-9)32(24-52(56)68-16-4)40-20-38(46(62-10)28-48(40)64-12)31(23-51(55)67-15-3)36-18-34(29)42(58-6)26-44(36)60-8/h17-20,25-32H,13-16,21-24H2,1-12H3/t29-,30+,31-,32+
InChIKey NJENGADNOKOPTH-HRDPQUPSSA-N
Mol Weight 945.1 g/mol
Molecular Formula C52H64O16
Exact Mass 944.419436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fmRA36EaVL
Name R-2,C-4,C-14,C-20-TETRA-(CARBOETHOXYETHYL)-PENTACYClO-[19.3.1.1^3,7.1^15,19]-OCTACOSA-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-DODECAEN-4,6,10,12,16,18,2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64O16
InChI InChI=1S/C52H64O16/c1-13-65-49(53)21-29-33-17-35(43(59-7)25-41(33)57-5)30(22-50(54)66-14-2)37-19-39(47(63-11)27-45(37)61-9)32(24-52(56)68-16-4)40-20-38(46(62-10)28-48(40)64-12)31(23-51(55)67-15-3)36-18-34(29)42(58-6)26-44(36)60-8/h17-20,25-32H,13-16,21-24H2,1-12H3/t29-,30+,31-,32+
InChIKey NJENGADNOKOPTH-HRDPQUPSSA-N
Literature Reference Author B.BOTTA,M.C.DIGIOVANNI,G.DELLEMONACHE,M.C.DEROSA,E.GACS-BAIT Z,M.BOTTA,F.CORELLI,
Literature Reference Citation J.ORG.CHEM.,59,1532(1994)
Literature Reference DOI 10.1021/jo00085a047
Molecular Weight 945.071 g/mol
Solvent Unknown
Source File Reference UWCP4990