| SpectraBase Compound ID | 36w7kZtAWW5 |
|---|---|
| InChI | InChI=1S/C45H64N8O12/c1-24(64-44(2,3)4)32-38(58)52-40-35(56)33(54)34(55)36(63-40)39(59)48-29(21-25-15-9-8-10-16-25)37(57)49-30(22-26-23-47-28-18-12-11-17-27(26)28)41(60)53(43(62)65-45(5,6)7)31(19-13-14-20-46)50-42(61)51-32/h8-12,15-18,23-24,29-36,40,47,54-56H,13-14,19-22,46H2,1-7H3,(H,48,59)(H,49,57)(H,52,58)(H2,50,51,61)/t24?,29?,30?,31?,32?,33-,34-,35+,36-,40+/m0/s1 |
| InChIKey | DBKTUUQXIHEASV-SGMTXBGESA-N |
| Mol Weight | 909.1 g/mol |
| Molecular Formula | C45H64N8O12 |
| Exact Mass | 908.46437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2j8gCQZIhm6 |
|---|---|
| Name | CYCLO-(-LYS(BOC)-THR(TERT.-BUTYL)-SAA3-PHE-D-TRP-) |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H64N8O12 |
| InChI | InChI=1S/C45H64N8O12/c1-24(64-44(2,3)4)32-38(58)52-40-35(56)33(54)34(55)36(63-40)39(59)48-29(21-25-15-9-8-10-16-25)37(57)49-30(22-26-23-47-28-18-12-11-17-27(26)28)41(60)53(43(62)65-45(5,6)7)31(19-13-14-20-46)50-42(61)51-32/h8-12,15-18,23-24,29-36,40,47,54-56H,13-14,19-22,46H2,1-7H3,(H,48,59)(H,49,57)(H,52,58)(H2,50,51,61)/t24?,29?,30?,31?,32?,33-,34-,35+,36-,40+/m0/s1 |
| InChIKey | DBKTUUQXIHEASV-SGMTXBGESA-N |
| Literature Reference Author | E.G.V.ROEDERN,E.LOHOF,G.HESSLER,M.HOFFMANN,H.KESSLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,10156(1996) |
| Literature Reference DOI | 10.1021/ja961068a |
| Molecular Weight | 909.050 g/mol |
| Sample ID | 53607 |
| Solvent | DMSO-D6 |