| SpectraBase Compound ID | 1jNxTJm88uQ |
|---|---|
| InChI | InChI=1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10+,16-8+/t17-,21?,22+,25-,27-,28-/m0/s1 |
| InChIKey | PDXPLYCPNXZSAL-YSFHVAQXSA-N |
| Mol Weight | 547.0 g/mol |
| Molecular Formula | C28H35ClN2O7 |
| Exact Mass | 546.213279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FhRdPEvovP |
|---|---|
| Name | MAYSINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35ClN2O7 |
| InChI | InChI=1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10+,16-8+/t17-,21?,22+,25-,27-,28-/m0/s1 |
| InChIKey | PDXPLYCPNXZSAL-YSFHVAQXSA-N |
| Literature Reference Author | W.A.WALLACE,A.T.SNEDEN |
| Literature Reference Citation | ORG.MAGN.RES.,19,31(1982) |
| Literature Reference DOI | 10.1002/mrc.1270190109 |
| Molecular Weight | 547.048 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12283 |