| SpectraBase Compound ID | AyycyQjcBKE |
|---|---|
| InChI | InChI=1S/C31H35N15O8/c32-20(49)10-43(23(52)13-46-16-40-26-29(46)41-31(34)42-30(26)54)7-6-36-22(51)11-44(24(53)12-45-15-39-25-27(33)37-14-38-28(25)45)8-5-35-21(50)4-2-17-1-3-18(47)19(48)9-17/h1-4,9,14-16,47-48H,5-8,10-13H2,(H2,32,49)(H,35,50)(H,36,51)(H2,33,37,38)(H3,34,41,42,54)/b4-2+ |
| InChIKey | UXLFSJRPZMWDAB-DUXPYHPUSA-N |
| Mol Weight | 745.7 g/mol |
| Molecular Formula | C31H35N15O8 |
| Exact Mass | 745.279303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8eMHSHErjl |
|---|---|
| Name | UXLFSJRPZMWDAB-DUXPYHPUSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35N15O8 |
| InChI | InChI=1S/C31H35N15O8/c32-20(49)10-43(23(52)13-46-16-40-26-29(46)41-31(34)42-30(26)54)7-6-36-22(51)11-44(24(53)12-45-15-39-25-27(33)37-14-38-28(25)45)8-5-35-21(50)4-2-17-1-3-18(47)19(48)9-17/h1-4,9,14-16,47-48H,5-8,10-13H2,(H2,32,49)(H,35,50)(H,36,51)(H2,33,37,38)(H3,34,41,42,54)/b4-2+ |
| InChIKey | UXLFSJRPZMWDAB-DUXPYHPUSA-N |
| Literature Reference Author | M.GAGLIONE,G.MALGIERI,S.PACIFICO,V.SEVERINO,B.D.ABROSCA,L.RU SSO,A.FIORENTINO |
| Literature Reference Citation | MOLECULES,18,9147(2013) |
| Literature Reference DOI | 10.3390/molecules18089147 |
| Molecular Weight | 745.715 g/mol |
| Solvent | D2O |
| Source File Reference | UWIR9103 |