| SpectraBase Compound ID | LZunV8Wk5F4 |
|---|---|
| InChI | InChI=1S/C35H64N4O7S2.BrH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-32(41)48-28-30(38-35(44)46-24-8-2)34(43)37-29(22-26-47-6)33(42)36-27-31(40)45-25-23-39(3,4)5;/h8,29-30H,2,7,9-28H2,1,3-6H3,(H2-,36,37,38,42,43,44);1H/t29-,30-;/m1./s1 |
| InChIKey | MZSDVAYYRSFQLH-GAQUOPITSA-N |
| Mol Weight | 797.9 g/mol |
| Molecular Formula | C35H65BrN4O7S2 |
| Exact Mass | 796.347806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2g57dYm10fo |
|---|---|
| Name | N-ALLYLOXYCARBONYL-(S-PALMITOYL)-L-CYSTEYL-L-METHIONYL-GLYCINE-CHOLINE-ESTER-BROMIDE;ALOCCYS(PAL)-METGLYOCHOBR |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H65BrN4O7S2 |
| InChI | InChI=1S/C35H64N4O7S2.BrH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-32(41)48-28-30(38-35(44)46-24-8-2)34(43)37-29(22-26-47-6)33(42)36-27-31(40)45-25-23-39(3,4)5;/h8,29-30H,2,7,9-28H2,1,3-6H3,(H2-,36,37,38,42,43,44);1H/t29-,30-;/m1./s1 |
| InChIKey | MZSDVAYYRSFQLH-GAQUOPITSA-N |
| Literature Reference Author | M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN |
| Literature Reference Citation | CHEM.EUR.J.,5,1239(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e |
| Molecular Weight | 797.948 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9621 |