| SpectraBase Compound ID | CENyDELsW2j |
|---|---|
| InChI | InChI=1S/C46H73N3O6/c1-31(12-17-37-34(4)15-20-39-44(37,6)25-11-27-46(39,8)42(53)54-9)22-28-49-30-35(47-48-49)16-21-40(50)55-29-23-32(2)13-18-36-33(3)14-19-38-43(36,5)24-10-26-45(38,7)41(51)52/h30-32,36-39H,3-4,10-29H2,1-2,5-9H3,(H,51,52)/t31-,32-,36+,37+,38-,39-,43-,44-,45+,46+/m1/s1 |
| InChIKey | CEGKGQAAJJIUSK-JCBPFBQKSA-N |
| Mol Weight | 764.1 g/mol |
| Molecular Formula | C46H73N3O6 |
| Exact Mass | 763.549937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m7vc0Ga4oj |
|---|---|
| Name | DIMER-M |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H73N3O6 |
| InChI | InChI=1S/C46H73N3O6/c1-31(12-17-37-34(4)15-20-39-44(37,6)25-11-27-46(39,8)42(53)54-9)22-28-49-30-35(47-48-49)16-21-40(50)55-29-23-32(2)13-18-36-33(3)14-19-38-43(36,5)24-10-26-45(38,7)41(51)52/h30-32,36-39H,3-4,10-29H2,1-2,5-9H3,(H,51,52)/t31-,32-,36+,37+,38-,39-,43-,44-,45+,46+/m1/s1 |
| InChIKey | CEGKGQAAJJIUSK-JCBPFBQKSA-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 | 764.102 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9387 |