| SpectraBase Compound ID | 4gSPCFCbkVM |
|---|---|
| InChI | InChI=1S/C40H43N3O4/c1-26(2)41-35(44)39(31(27-18-10-6-11-19-27)32(39)28-20-12-7-13-21-28)42-36(45)40(43-37(46)47-38(3,4)5)33(29-22-14-8-15-23-29)34(40)30-24-16-9-17-25-30/h6-26,31-34H,1-5H3,(H,41,44)(H,42,45)(H,43,46)/t31-,32+,33-,34?,39?,40-/m1/s1 |
| InChIKey | HYMOUALEGVDJAI-HXFIBHFPSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C40H43N3O4 |
| Exact Mass | 629.325357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7gz0sQrUZU |
|---|---|
| Name | BOC-(S,S)-C3-DI-PHE-(R,R)-C3-DI-PHE-NH(ISO)PR |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H43N3O4 |
| InChI | InChI=1S/C40H43N3O4/c1-26(2)41-35(44)39(31(27-18-10-6-11-19-27)32(39)28-20-12-7-13-21-28)42-36(45)40(43-37(46)47-38(3,4)5)33(29-22-14-8-15-23-29)34(40)30-24-16-9-17-25-30/h6-26,31-34H,1-5H3,(H,41,44)(H,42,45)(H,43,46)/t31-,32+,33-,34?,39?,40-/m1/s1 |
| InChIKey | HYMOUALEGVDJAI-HXFIBHFPSA-N |
| Literature Reference Author | M.CRISMA,C.TONIOLO,S.ROYO,A.I.JIMENEZ,C.CATIVIELA |
| Literature Reference Citation | ORG.LETTERS,8,6091(2006) |
| Literature Reference DOI | 10.1021/ol062600u |
| Molecular Weight | 629.799 g/mol |
| Sample ID | 61995 |
| Solvent | CDCl3 |