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ITDSEIYMCOOQOD-IFIYJMMKSA-N
SpectraBase Compound ID 9ajkwSOTIA
InChI InChI=1S/C58H60O12/c59-51-32-19-33-60-40-49-52(63-35-44-22-9-2-10-23-44)54(65-37-46-26-13-4-14-27-46)55(66-38-47-28-15-5-16-29-47)57(68-49)70-58(42-61-34-43-20-7-1-8-21-43)56(67-39-48-30-17-6-18-31-48)53(50(69-58)41-62-51)64-36-45-24-11-3-12-25-45/h1-32,49-50,52-57H,33-42H2/b32-19+/t49-,50-,52-,53-,54+,55-,56+,57-,58+/m0/s1
InChIKey ITDSEIYMCOOQOD-IFIYJMMKSA-N
Mol Weight 949.1 g/mol
Molecular Formula C58H60O12
Exact Mass 948.408477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UKenb5UWI2
Name ITDSEIYMCOOQOD-IFIYJMMKSA-N
Compound Number (E)-#12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H60O12
InChI InChI=1S/C58H60O12/c59-51-32-19-33-60-40-49-52(63-35-44-22-9-2-10-23-44)54(65-37-46-26-13-4-14-27-46)55(66-38-47-28-15-5-16-29-47)57(68-49)70-58(42-61-34-43-20-7-1-8-21-43)56(67-39-48-30-17-6-18-31-48)53(50(69-58)41-62-51)64-36-45-24-11-3-12-25-45/h1-32,49-50,52-57H,33-42H2/b32-19+/t49-,50-,52-,53-,54+,55-,56+,57-,58+/m0/s1
InChIKey ITDSEIYMCOOQOD-IFIYJMMKSA-N
Literature Reference Author S.JAROSZ,A.LISTKOWSKI
Literature Reference Citation CAN.J.CHEM.,84,492(2006)
Literature Reference DOI 10.1139/v06-035
Molecular Weight 949.107 g/mol
Sample ID 46813
Solvent CDCl3