| SpectraBase Compound ID | C0n2nAlAJMX |
|---|---|
| InChI | InChI=1S/C43H65N9O10/c1-9-23(4)33-41(60)48-32(22(2)3)40(59)45-24(5)35(54)44-25(6)36(55)47-29(21-28-15-11-10-12-16-28)37(56)50-34(27(8)53)43(62)52-20-14-17-30(52)38(57)46-26(7)42(61)51-19-13-18-31(51)39(58)49-33/h10-12,15-16,22-27,29-34,53H,9,13-14,17-21H2,1-8H3,(H,44,54)(H,45,59)(H,46,57)(H,47,55)(H,48,60)(H,49,58)(H,50,56)/t23?,24-,25-,26-,27?,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | NPYYAXZHUVOXOW-OOOICLQUSA-N |
| Mol Weight | 868.0 g/mol |
| Molecular Formula | C43H65N9O10 |
| Exact Mass | 867.485439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILes4tvo0md |
|---|---|
| Name | CYCLOLEONURIPEPTIDE_E;CYCLO-(-ALA-PRO-ILE-VAL-ALA-ALA-PHE-THR-PRO-) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H65N9O10 |
| InChI | InChI=1S/C43H65N9O10/c1-9-23(4)33-41(60)48-32(22(2)3)40(59)45-24(5)35(54)44-25(6)36(55)47-29(21-28-15-11-10-12-16-28)37(56)50-34(27(8)53)43(62)52-20-14-17-30(52)38(57)46-26(7)42(61)51-19-13-18-31(51)39(58)49-33/h10-12,15-16,22-27,29-34,53H,9,13-14,17-21H2,1-8H3,(H,44,54)(H,45,59)(H,46,57)(H,47,55)(H,48,60)(H,49,58)(H,50,56)/t23?,24-,25-,26-,27?,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | NPYYAXZHUVOXOW-OOOICLQUSA-N |
| Literature Reference Author | H.MORITA,T.IIZUKA,A.GONDA,H.ITOKAWA,K.TAKEYA |
| Literature Reference Citation | J.NAT.PROD.,69,839(2006) |
| Literature Reference DOI | 10.1021/np050544k |
| Molecular Weight | 868.043 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18449 |