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#4C;5,8,13,16,29,32,37,40,53,56,61,64-DODECAMETHYL-2,19,26,43,50,67-HEXAOXO-3,7,14,18,27,31,38,42,51,55,62,66,74,77,80,83,86,89-OCTADECAOXATRIADECACYCLO-[66.4.
SpectraBase Compound ID GeGLfgIrr1u
InChI InChI=1S/C84H96O24/c1-73-37-91-67(85)61-19-13-14-20-62(61)68(86)92-38-74(2)45-101-81(9,102-46-74)57-29-31-58(32-30-57)82(10)103-49-77(5,50-104-82)41-95-71(89)65-23-17-18-24-66(65)72(90)96-42-78(6)53-107-84(12,108-54-78)60-35-33-59(34-36-60)83(11)105-51-76(4,52-106-83)40-94-70(88)64-22-16-15-21-63(64)69(87)93-39-75(3)47-99-80(8,100-48-75)56-27-25-55(26-28-56)79(7,97-43-73)98-44-73/h13-36H,37-54H2,1-12H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+
InChIKey IDTHWLLTKSNUGC-KPXZJOKBSA-N
Mol Weight 1489.7 g/mol
Molecular Formula C84H96O24
Exact Mass 1488.629154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XyTeL4lbu8
Name #4C;5,8,13,16,29,32,37,40,53,56,61,64-DODECAMETHYL-2,19,26,43,50,67-HEXAOXO-3,7,14,18,27,31,38,42,51,55,62,66,74,77,80,83,86,89-OCTADECAOXATRIADECACYCLO-[66.4.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H96O24
InChI InChI=1S/C84H96O24/c1-73-37-91-67(85)61-19-13-14-20-62(61)68(86)92-38-74(2)45-101-81(9,102-46-74)57-29-31-58(32-30-57)82(10)103-49-77(5,50-104-82)41-95-71(89)65-23-17-18-24-66(65)72(90)96-42-78(6)53-107-84(12,108-54-78)60-35-33-59(34-36-60)83(11)105-51-76(4,52-106-83)40-94-70(88)64-22-16-15-21-63(64)69(87)93-39-75(3)47-99-80(8,100-48-75)56-27-25-55(26-28-56)79(7,97-43-73)98-44-73/h13-36H,37-54H2,1-12H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+
InChIKey IDTHWLLTKSNUGC-KPXZJOKBSA-N
Literature Reference Author M.BALOG,I.GROSU,G.PLE,Y.RAMONDENC,E.CONDAMINE,R.A.VARGA
Literature Reference Citation J.ORG.CHEM.,69,1337(2004)
Literature Reference DOI 10.1021/jo0353987
Molecular Weight 1489.672 g/mol
Solvent CDCl3
Source File Reference UWVN21631