| SpectraBase Compound ID | 6qXfVMT6QMg |
|---|---|
| InChI | InChI=1S/C44H69N3O6/c1-29(12-16-34-32(4)15-19-37-42(34,6)22-11-24-44(37,8)40(51)52-9)20-25-47-27-33(45-46-47)28-53-38(48)26-30(2)13-17-35-31(3)14-18-36-41(35,5)21-10-23-43(36,7)39(49)50/h27,29-30,34-37H,3-4,10-26,28H2,1-2,5-9H3,(H,49,50)/t29-,30-,34+,35+,36-,37-,41-,42-,43+,44+/m1/s1 |
| InChIKey | ZRQACTQHTRFSNO-STVAEHOMSA-N |
| Mol Weight | 736.1 g/mol |
| Molecular Formula | C44H69N3O6 |
| Exact Mass | 735.518637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GysxjowO45 |
|---|---|
| Name | DIMER-I |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H69N3O6 |
| InChI | InChI=1S/C44H69N3O6/c1-29(12-16-34-32(4)15-19-37-42(34,6)22-11-24-44(37,8)40(51)52-9)20-25-47-27-33(45-46-47)28-53-38(48)26-30(2)13-17-35-31(3)14-18-36-41(35,5)21-10-23-43(36,7)39(49)50/h27,29-30,34-37H,3-4,10-26,28H2,1-2,5-9H3,(H,49,50)/t29-,30-,34+,35+,36-,37-,41-,42-,43+,44+/m1/s1 |
| InChIKey | ZRQACTQHTRFSNO-STVAEHOMSA-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 | 736.048 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9383 |