| SpectraBase Compound ID | EyQrptl1bfj |
|---|---|
| InChI | InChI=1S/C41H40N20O4/c42-33-50-29(51-34(43)58-33)21-1-9-25(10-2-21)62-17-41(18-63-26-11-3-22(4-12-26)30-52-35(44)59-36(45)53-30,19-64-27-13-5-23(6-14-27)31-54-37(46)60-38(47)55-31)20-65-28-15-7-24(8-16-28)32-56-39(48)61-40(49)57-32/h1-16H,17-20H2,(H4,42,43,50,51,58)(H4,44,45,52,53,59)(H4,46,47,54,55,60)(H4,48,49,56,57,61) |
| InChIKey | MMFYFFAHGLEQFE-UHFFFAOYSA-N |
| Mol Weight | 876.9 g/mol |
| Molecular Formula | C41H40N20O4 |
| Exact Mass | 876.35414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOgHm7Jyu69 |
|---|---|
| Name | TECTON-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H40N20O4 |
| InChI | InChI=1S/C41H40N20O4/c42-33-50-29(51-34(43)58-33)21-1-9-25(10-2-21)62-17-41(18-63-26-11-3-22(4-12-26)30-52-35(44)59-36(45)53-30,19-64-27-13-5-23(6-14-27)31-54-37(46)60-38(47)55-31)20-65-28-15-7-24(8-16-28)32-56-39(48)61-40(49)57-32/h1-16H,17-20H2,(H4,42,43,50,51,58)(H4,44,45,52,53,59)(H4,46,47,54,55,60)(H4,48,49,56,57,61) |
| InChIKey | MMFYFFAHGLEQFE-UHFFFAOYSA-N |
| Literature Reference Author | D.LALIBERTE,T.MARIS,J.D.WUEST |
| Literature Reference Citation | J.ORG.CHEM.,69,1776(2004) |
| Literature Reference DOI | 10.1021/jo035311h |
| Molecular Weight | 876.900 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21927 |