| SpectraBase Compound ID | CZwezgQMUIe |
|---|---|
| InChI | InChI=1S/C31H30N8O9/c1-31(29(44)48-5)25(41)19-18-13(10-39-26-22(33-11-34-26)27(42)36-30(39)32)9-38(15(18)8-16(40)21(19)37-31)28(43)14-6-12-7-17(45-2)23(46-3)24(47-4)20(12)35-14/h6-8,11,13,35,37,40H,9-10H2,1-5H3,(H,33,34)(H2,32,36,42)/t13-,31+/m0/s1 |
| InChIKey | IEEFQLKXMFFZDA-CQMWEUJXSA-N |
| Mol Weight | 658.63 g/mol |
| Molecular Formula | C31H30N8O9 |
| Exact Mass | 658.213575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpMFt7He989 |
|---|---|
| Name | IEEFQLKXMFFZDA-CQMWEUJXSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30N8O9 |
| InChI | InChI=1S/C31H30N8O9/c1-31(29(44)48-5)25(41)19-18-13(10-39-26-22(33-11-34-26)27(42)36-30(39)32)9-38(15(18)8-16(40)21(19)37-31)28(43)14-6-12-7-17(45-2)23(46-3)24(47-4)20(12)35-14/h6-8,11,13,35,37,40H,9-10H2,1-5H3,(H,33,34)(H2,32,36,42)/t13-,31+/m0/s1 |
| InChIKey | IEEFQLKXMFFZDA-CQMWEUJXSA-N |
| Literature Reference Author | A.ASAI,S.NAGAMURA,H.SAITO |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,4171(1994) |
| Literature Reference DOI | 10.1021/ja00089a004 |
| Molecular Weight | 658.627 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI3826 |