| SpectraBase Compound ID | CHEpOegsskQ |
|---|---|
| InChI | InChI=1S/2C28H35N5O8/c2*1-28(2,3)41-27(38)29-17-23(34)26(37)32-15-7-10-22(32)25(36)31-21(16-18-8-5-4-6-9-18)24(35)30-19-11-13-20(14-12-19)33(39)40/h2*4-6,8-9,11-14,21-23,34H,7,10,15-17H2,1-3H3,(H,29,38)(H,30,35)(H,31,36)/t2*21-,22-,23?/m00/s1 |
| InChIKey | NHXAFBNMXSIVOB-DAAHUMIZSA-N |
| Mol Weight | 1139.2 g/mol |
| Molecular Formula | C56H70N10O16 |
| Exact Mass | 1138.497126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ein48O1Yc2v |
|---|---|
| Name | BOC-ISER-PRO-PHE-PNA |
| Compound Number | 14B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H70N10O16 |
| InChI | InChI=1S/2C28H35N5O8/c2*1-28(2,3)41-27(38)29-17-23(34)26(37)32-15-7-10-22(32)25(36)31-21(16-18-8-5-4-6-9-18)24(35)30-19-11-13-20(14-12-19)33(39)40/h2*4-6,8-9,11-14,21-23,34H,7,10,15-17H2,1-3H3,(H,29,38)(H,30,35)(H,31,36)/t2*21-,22-,23?/m00/s1 |
| InChIKey | NHXAFBNMXSIVOB-DAAHUMIZSA-N |
| Literature Reference Author | L.DEMANGE,M.MOUTIEZ,C.DUGAVE |
| Literature Reference Citation | J.MED.CHEM.,45,3928(2002) |
| Literature Reference DOI | 10.1021/jm020865i |
| Molecular Weight | 1139.229 g/mol |
| Sample ID | 64819 |
| Solvent | CDCl3 |