| SpectraBase Compound ID | 4Y5FQV71kzX |
|---|---|
| InChI | InChI=1S/C52H69N3O6/c1-49(2,3)39-21-31-17-35-25-41(51(7,8)9)27-37-19-33-23-40(50(4,5)6)24-34(46(33)59)20-38-28-42(52(10,11)12)26-36(18-32(22-39)45(31)58)48(38)61-30-44(57)55-16-14-53-13-15-54-43(56)29-60-47(35)37/h21-28,53,58-59H,13-20,29-30H2,1-12H3,(H,54,56)(H,55,57) |
| InChIKey | SBYXQPHJDBHACV-UHFFFAOYSA-N |
| Mol Weight | 832.1 g/mol |
| Molecular Formula | C52H69N3O6 |
| Exact Mass | 831.518637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | weXYNGUgfE |
|---|---|
| Name | ISOMER_2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69N3O6 |
| InChI | InChI=1S/C52H69N3O6/c1-49(2,3)39-21-31-17-35-25-41(51(7,8)9)27-37-19-33-23-40(50(4,5)6)24-34(46(33)59)20-38-28-42(52(10,11)12)26-36(18-32(22-39)45(31)58)48(38)61-30-44(57)55-16-14-53-13-15-54-43(56)29-60-47(35)37/h21-28,53,58-59H,13-20,29-30H2,1-12H3,(H,54,56)(H,55,57) |
| InChIKey | SBYXQPHJDBHACV-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 | 832.136 g/mol |
| Solvent | SOLID-STATE |
| Source File Reference | UWMZ22253 |