| SpectraBase Compound ID | IdWmxbO1aGG |
|---|---|
| InChI | InChI=1S/C54H67N13O11/c1-50(2,3)78-49(74)58-24-13-23-51-31-52(46(71)62-40(20-25-59-65-55)43(68)75-28-37-14-7-4-8-15-37)34-53(32-51,47(72)63-41(21-26-60-66-56)44(69)76-29-38-16-9-5-10-17-38)36-54(33-51,35-52)48(73)64-42(22-27-61-67-57)45(70)77-30-39-18-11-6-12-19-39/h4-12,14-19,40-42H,13,20-36H2,1-3H3,(H,58,74)(H,62,71)(H,63,72)(H,64,73)/t40-,41-,42+,51-,52-,53+,54-/m0/s1 |
| InChIKey | XEYVFJDXNNIYRQ-JRFMRQSESA-N |
| Mol Weight | 1074.2 g/mol |
| Molecular Formula | C54H67N13O11 |
| Exact Mass | 1073.5083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UQoxG2mBco |
|---|---|
| Name | XEYVFJDXNNIYRQ-JRFMRQSESA-N |
| Compound Number | 11D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H67N13O11 |
| InChI | InChI=1S/C54H67N13O11/c1-50(2,3)78-49(74)58-24-13-23-51-31-52(46(71)62-40(20-25-59-65-55)43(68)75-28-37-14-7-4-8-15-37)34-53(32-51,47(72)63-41(21-26-60-66-56)44(69)76-29-38-16-9-5-10-17-38)36-54(33-51,35-52)48(73)64-42(22-27-61-67-57)45(70)77-30-39-18-11-6-12-19-39/h4-12,14-19,40-42H,13,20-36H2,1-3H3,(H,58,74)(H,62,71)(H,63,72)(H,64,73)/t40-,41-,42+,51-,52-,53+,54-/m0/s1 |
| InChIKey | XEYVFJDXNNIYRQ-JRFMRQSESA-N |
| Literature Reference Author | D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6361(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300769 |
| Molecular Weight | 1074.206 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT20172 |