| SpectraBase Compound ID | 1Qxryv46N13 |
|---|---|
| InChI | InChI=1S/C45H71N3O6/c1-30(13-17-35-32(3)15-19-37-42(35,5)22-11-24-44(37,7)40(50)52-9)21-26-48-28-34(46-47-48)29-54-39(49)27-31(2)14-18-36-33(4)16-20-38-43(36,6)23-12-25-45(38,8)41(51)53-10/h28,30-31,35-38H,3-4,11-27,29H2,1-2,5-10H3/t30-,31-,35+,36+,37-,38-,42-,43-,44+,45+/m1/s1 |
| InChIKey | WPCFQBLJMBQECJ-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 | LwE3KZvsrYz |
|---|---|
| Name | DIMER-J |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H71N3O6 |
| InChI | InChI=1S/C45H71N3O6/c1-30(13-17-35-32(3)15-19-37-42(35,5)22-11-24-44(37,7)40(50)52-9)21-26-48-28-34(46-47-48)29-54-39(49)27-31(2)14-18-36-33(4)16-20-38-43(36,6)23-12-25-45(38,8)41(51)53-10/h28,30-31,35-38H,3-4,11-27,29H2,1-2,5-10H3/t30-,31-,35+,36+,37-,38-,42-,43-,44+,45+/m1/s1 |
| InChIKey | WPCFQBLJMBQECJ-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 | UWBT9384 |