| SpectraBase Compound ID | AJniKdf95Bl |
|---|---|
| InChI | InChI=1S/C49H65N7O9/c1-8-31(4)43-45(61)51-37(25-30(2)3)46(62)55(7)41(28-34-18-22-36(58)23-19-34)49(65)56-24-12-15-39(56)48(64)53(5)29-42(59)50-38(26-32-13-10-9-11-14-32)47(63)54(6)40(44(60)52-43)27-33-16-20-35(57)21-17-33/h9-11,13-14,16-23,30-31,37-41,43,57-58H,8,12,15,24-29H2,1-7H3,(H,50,59)(H,51,61)(H,52,60)/t31-,37+,38+,39+,40+,41-,43+/m1/s1 |
| InChIKey | RSKSPMHQQIYPNU-CWAWLLILSA-N |
| Mol Weight | 896.1 g/mol |
| Molecular Formula | C49H65N7O9 |
| Exact Mass | 895.484377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYXX42sq6iK |
|---|---|
| Name | CORDYHEPTAPEPTIDE_E;C2C-(1)-L-PHE-N-ME-GLY--L-PRO-N-ME-D-TYR-(2)-L-LEU-L-ALLO-ILE-) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H65N7O9 |
| InChI | InChI=1S/C49H65N7O9/c1-8-31(4)43-45(61)51-37(25-30(2)3)46(62)55(7)41(28-34-18-22-36(58)23-19-34)49(65)56-24-12-15-39(56)48(64)53(5)29-42(59)50-38(26-32-13-10-9-11-14-32)47(63)54(6)40(44(60)52-43)27-33-16-20-35(57)21-17-33/h9-11,13-14,16-23,30-31,37-41,43,57-58H,8,12,15,24-29H2,1-7H3,(H,50,59)(H,51,61)(H,52,60)/t31-,37+,38+,39+,40+,41-,43+/m1/s1 |
| InChIKey | RSKSPMHQQIYPNU-CWAWLLILSA-N |
| Literature Reference Author | Z.CHEN,Y.SONG,Y.CHEN,H.HUANG,W.ZHANG,J.JU |
| Literature Reference Citation | J.NAT.PROD.,75,1215(2012) |
| Literature Reference DOI | 10.1021/np300152d |
| Molecular Weight | 896.097 g/mol |
| Sample ID | 41228 |
| Solvent | CDCl3 |