| SpectraBase Compound ID | 6HxmlUfSGZN |
|---|---|
| InChI | InChI=1S/C45H84N4O8S/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-41(53)58-34-38(43(54)49-42(36(5)50)44(55)48-37(45(56)57)32-35(3)4)47-40(52)33-46-39(51)30-28-26-24-22-20-17-15-13-11-9-7-2/h35-38,42,50H,6-34H2,1-5H3,(H,46,51)(H,47,52)(H,48,55)(H,49,54)(H,56,57) |
| InChIKey | BEGWZRPYNPUPHY-UHFFFAOYSA-N |
| Mol Weight | 841.2 g/mol |
| Molecular Formula | C45H84N4O8S |
| Exact Mass | 840.600987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FCL7awuLF9 |
|---|---|
| Name | N-MYRISTOYL-GLYCYL-(S-PALMITOYL)-L-CYSTEYL-L-THREONYL-L-LEUCINE;MYR-GLY-CYS(PAL)-THR-LEU-OH |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H84N4O8S |
| InChI | InChI=1S/C45H84N4O8S/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-41(53)58-34-38(43(54)49-42(36(5)50)44(55)48-37(45(56)57)32-35(3)4)47-40(52)33-46-39(51)30-28-26-24-22-20-17-15-13-11-9-7-2/h35-38,42,50H,6-34H2,1-5H3,(H,46,51)(H,47,52)(H,48,55)(H,49,54)(H,56,57) |
| InChIKey | BEGWZRPYNPUPHY-UHFFFAOYSA-N |
| Literature Reference Author | A.COTTE,B.BADER,J.KUHLMANN,H.WALDMANN |
| Literature Reference Citation | CHEM.EUR.J.,5,922(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990301)5:3<922::aid-chem922>3.3.co;2-f |
| Molecular Weight | 841.244 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU9591 |