| SpectraBase Compound ID | FnTSs6e0wq9 |
|---|---|
| InChI | InChI=1S/C46H78O6/c1-33(15-19-37-35(3)17-21-39-43(37,5)25-13-27-45(39,7)41(47)49-9)23-31-51-29-11-12-30-52-32-24-34(2)16-20-38-36(4)18-22-40-44(38,6)26-14-28-46(40,8)42(48)50-10/h33-34,37-40H,3-4,11-32H2,1-2,5-10H3/t33-,34-,37+,38+,39-,40-,43-,44-,45+,46+/m1/s1 |
| InChIKey | TXQXUZWUZDLJPP-GLKZMILUSA-N |
| Mol Weight | 727.1 g/mol |
| Molecular Formula | C46H78O6 |
| Exact Mass | 726.57984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKW0aKejOEq |
|---|---|
| Name | DIMER-B |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O6 |
| InChI | InChI=1S/C46H78O6/c1-33(15-19-37-35(3)17-21-39-43(37,5)25-13-27-45(39,7)41(47)49-9)23-31-51-29-11-12-30-52-32-24-34(2)16-20-38-36(4)18-22-40-44(38,6)26-14-28-46(40,8)42(48)50-10/h33-34,37-40H,3-4,11-32H2,1-2,5-10H3/t33-,34-,37+,38+,39-,40-,43-,44-,45+,46+/m1/s1 |
| InChIKey | TXQXUZWUZDLJPP-GLKZMILUSA-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 | 727.122 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9376 |