| SpectraBase Compound ID | LDyb0BPggRk |
|---|---|
| InChI | InChI=1S/C27H28N6O8/c1-27(2,3)15-10-8-14(9-11-15)23(37)30-26-29-22-19(24(31-26)40-17-7-5-4-6-16(17)33(38)39)28-13-32(22)25-21(36)20(35)18(12-34)41-25/h4-11,13,18,20-21,25,34-36H,12H2,1-3H3,(H,29,30,31,37)/t18-,20-,21-,25-/m0/s1 |
| InChIKey | BTROBKGQRXMXLL-IBSUQTTCSA-N |
| Mol Weight | 564.56 g/mol |
| Molecular Formula | C27H28N6O8 |
| Exact Mass | 564.196862 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLPr3Dunrry |
|---|---|
| Name | BTROBKGQRXMXLL-IBSUQTTCSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28N6O8 |
| InChI | InChI=1S/C27H28N6O8/c1-27(2,3)15-10-8-14(9-11-15)23(37)30-26-29-22-19(24(31-26)40-17-7-5-4-6-16(17)33(38)39)28-13-32(22)25-21(36)20(35)18(12-34)41-25/h4-11,13,18,20-21,25,34-36H,12H2,1-3H3,(H,29,30,31,37)/t18-,20-,21-,25-/m0/s1 |
| InChIKey | BTROBKGQRXMXLL-IBSUQTTCSA-N |
| Literature Reference Author | G.REMAUD,X.X.ZHOU,C.J.WELCH,J.CHATTOPADHYAYA |
| Literature Reference Citation | TETRAHEDRON,42,4057(1986) |
| Literature Reference DOI | 10.1016/S0040-4020(01)87562-1 |
| Solvent | DMSO;TFA=1EQ |
| Source File Reference | UWRH512 |