| 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
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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 |