| SpectraBase Compound ID | JJIsAy9yDKr |
|---|---|
| InChI | InChI=1S/C45H71N3O6/c1-30(12-16-35-33(4)15-19-38-43(35,6)23-11-25-45(38,8)41(52)53-9)20-26-48-29-34(46-47-48)21-27-54-39(49)28-31(2)13-17-36-32(3)14-18-37-42(36,5)22-10-24-44(37,7)40(50)51/h29-31,35-38H,3-4,10-28H2,1-2,5-9H3,(H,50,51)/t30-,31-,35+,36+,37-,38-,42-,43-,44+,45+/m1/s1 |
| InChIKey | MKZSDBYUWCENJK-UUKCJWQGSA-N |
| Mol Weight | 750.1 g/mol |
| Molecular Formula | C45H71N3O6 |
| Exact Mass | 749.534287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34e2fVUKlYj |
|---|---|
| Name | DIMER-K |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H71N3O6 |
| InChI | InChI=1S/C45H71N3O6/c1-30(12-16-35-33(4)15-19-38-43(35,6)23-11-25-45(38,8)41(52)53-9)20-26-48-29-34(46-47-48)21-27-54-39(49)28-31(2)13-17-36-32(3)14-18-37-42(36,5)22-10-24-44(37,7)40(50)51/h29-31,35-38H,3-4,10-28H2,1-2,5-9H3,(H,50,51)/t30-,31-,35+,36+,37-,38-,42-,43-,44+,45+/m1/s1 |
| InChIKey | MKZSDBYUWCENJK-UUKCJWQGSA-N |
| Literature Reference Author | M.W.PERTINO,C.THEODULOZ,M.BASTIAS,G.SCHMEDA-HIRSCHMANN |
| Literature Reference Citation | MOLECULES,18,5936(2013) |
| Literature Reference DOI | 10.3390/molecules18055936 |
| Molecular Weight | 750.075 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9385 |