| SpectraBase Compound ID | L2B0hJAqPJC |
|---|---|
| InChI | InChI=1S/C40H55N9O13/c1-22(2)17-27(39(58)48-13-15-59-16-14-48)47-38(57)26(46-37(56)25(41)11-12-29(50)51)18-23-7-9-24(10-8-23)61-31(53)6-4-3-5-30(52)60-19-28-33(54)34(55)40(62-28)49-21-45-32-35(42)43-20-44-36(32)49/h7-10,20-22,25-28,33-34,40,54-55H,3-6,11-19,41H2,1-2H3,(H,46,56)(H,47,57)(H,50,51)(H2,42,43,44)/t25-,26-,27-,28-,33-,34-,40-/m0/s1 |
| InChIKey | YCFXNESYVCRWHL-RLZSYYQKSA-N |
| Mol Weight | 869.9 g/mol |
| Molecular Formula | C40H55N9O13 |
| Exact Mass | 869.391933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7pXSscB4Qf |
|---|---|
| Name | H-GLU-TYR-(CO(CH2)4-CO-A)-LEU-MORPHOLINE |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55N9O13 |
| InChI | InChI=1S/C40H55N9O13/c1-22(2)17-27(39(58)48-13-15-59-16-14-48)47-38(57)26(46-37(56)25(41)11-12-29(50)51)18-23-7-9-24(10-8-23)61-31(53)6-4-3-5-30(52)60-19-28-33(54)34(55)40(62-28)49-21-45-32-35(42)43-20-44-36(32)49/h7-10,20-22,25-28,33-34,40,54-55H,3-6,11-19,41H2,1-2H3,(H,46,56)(H,47,57)(H,50,51)(H2,42,43,44)/t25-,26-,27-,28-,33-,34-,40-/m0/s1 |
| InChIKey | YCFXNESYVCRWHL-RLZSYYQKSA-N |
| Literature Reference Author | G.ROSSE,U.SEQUIN,H.METT,P.FURET,P.TRAXLER,H.FRETZ |
| Literature Reference Citation | HELV.CHIM.ACTA,80,653(1997) |
| Literature Reference DOI | 10.1002/hlca.19970800304 |
| Molecular Weight | 869.929 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3888 |