| SpectraBase Compound ID | Bz8eL30oEzW |
|---|---|
| InChI | InChI=1S/C51H66N2O6/c1-48(2,3)38-20-30-16-34-24-40(50(7,8)9)26-36-18-32-22-39(49(4,5)6)23-33(45(32)57)19-37-27-41(51(10,11)12)25-35(17-31(21-38)44(30)56)47(37)59-29-43(55)53-15-13-14-52-42(54)28-58-46(34)36/h20-27,56-57H,13-19,28-29H2,1-12H3,(H,52,54)(H,53,55) |
| InChIKey | BZDPUPDOAADLHC-UHFFFAOYSA-N |
| Mol Weight | 803.1 g/mol |
| Molecular Formula | C51H66N2O6 |
| Exact Mass | 802.492088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GompLd8k65 |
|---|---|
| Name | ISOMER_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H66N2O6 |
| InChI | InChI=1S/C51H66N2O6/c1-48(2,3)38-20-30-16-34-24-40(50(7,8)9)26-36-18-32-22-39(49(4,5)6)23-33(45(32)57)19-37-27-41(51(10,11)12)25-35(17-31(21-38)44(30)56)47(37)59-29-43(55)53-15-13-14-52-42(54)28-58-46(34)36/h20-27,56-57H,13-19,28-29H2,1-12H3,(H,52,54)(H,53,55) |
| InChIKey | BZDPUPDOAADLHC-UHFFFAOYSA-N |
| Literature Reference Author | F.BENEVELLI,J.KLINOWSKI,I.BITTER,A.GRUEN,B.BALAZS,G.TOTH |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1187(2002) |
| Literature Reference DOI | 10.1039/b110978m |
| Molecular Weight | 803.095 g/mol |
| Solvent | SOLID-STATE |
| Source File Reference | UWMZ22247 |