| SpectraBase Compound ID | BsN3ciYBqwr |
|---|---|
| InChI | InChI=1S/C23H35N3O6Se/c1-7-17(25-22(30)32-23(3,4)5)20(28)24-18(15-33-16-12-10-9-11-13-16)21(29)26(6)14-19(27)31-8-2/h9-13,17-18H,7-8,14-15H2,1-6H3,(H,24,28)(H,25,30)/t17-,18-/m0/s1 |
| InChIKey | LHYGDABRUGXKTO-ROUUACIJSA-N |
| Mol Weight | 528.5 g/mol |
| Molecular Formula | C23H35N3O6Se |
| Exact Mass | 529.169108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bwyigk47HQc |
|---|---|
| Name | BOC-N-D-ABU-L-(PHE)-SEC-SAR-O-ET;ROTAMER_1 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35N3O6Se |
| InChI | InChI=1S/C23H35N3O6Se/c1-7-17(25-22(30)32-23(3,4)5)20(28)24-18(15-33-16-12-10-9-11-13-16)21(29)26(6)14-19(27)31-8-2/h9-13,17-18H,7-8,14-15H2,1-6H3,(H,24,28)(H,25,30)/t17-,18-/m0/s1 |
| InChIKey | LHYGDABRUGXKTO-ROUUACIJSA-N |
| Literature Reference Author | S.V.LEY,A.PRIOUR,C.HEUSSER |
| Literature Reference Citation | ORG.LETTERS,4,711(2002) |
| Literature Reference DOI | 10.1021/ol017184m |
| Molecular Weight | 528.507 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25697 |