| SpectraBase Compound ID | FxcKuoUnDgT |
|---|---|
| InChI | InChI=1S/C49H65N7O8/c1-8-32(4)43-45(60)51-37(26-31(2)3)46(61)55(7)41(29-34-18-13-10-14-19-34)49(64)56-25-15-20-39(56)48(63)53(5)30-42(58)50-38(27-33-16-11-9-12-17-33)47(62)54(6)40(44(59)52-43)28-35-21-23-36(57)24-22-35/h9-14,16-19,21-24,31-32,37-41,43,57H,8,15,20,25-30H2,1-7H3,(H,50,58)(H,51,60)(H,52,59)/t32-,37+,38+,39+,40+,41-,43+/m1/s1 |
| InChIKey | ZXPWAGZHBVVLJM-WSEGTXORSA-N |
| Mol Weight | 880.1 g/mol |
| Molecular Formula | C49H65N7O8 |
| Exact Mass | 879.489462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jp6zrrW9SSR |
|---|---|
| Name | CORDYHEPTAPEPTIDE_A;CYCLO-(D-NMEPHE-L-LEU-L-ILE-L-NMETYR-L-PHE-NMEGLY-L-PRO) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H65N7O8 |
| InChI | InChI=1S/C49H65N7O8/c1-8-32(4)43-45(60)51-37(26-31(2)3)46(61)55(7)41(29-34-18-13-10-14-19-34)49(64)56-25-15-20-39(56)48(63)53(5)30-42(58)50-38(27-33-16-11-9-12-17-33)47(62)54(6)40(44(59)52-43)28-35-21-23-36(57)24-22-35/h9-14,16-19,21-24,31-32,37-41,43,57H,8,15,20,25-30H2,1-7H3,(H,50,58)(H,51,60)(H,52,59)/t32-,37+,38+,39+,40+,41-,43+/m1/s1 |
| InChIKey | ZXPWAGZHBVVLJM-WSEGTXORSA-N |
| Literature Reference Author | V.RUKACHAISIRIKUL,S.CHANTARUK,C.TANSAKUL,S.SAITHONG,L.CHAICH ARERNWIMONKOON,C.PAK |
| Literature Reference Citation | J.NAT.PROD.,69,305(2006) |
| Literature Reference DOI | 10.1021/np050433l |
| Molecular Weight | 880.097 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16845 |