![N-[(2S,3R,4E)-1-[(TERT.-BUTYL)-DIPHENYLSILYLOXY]-3-HYDROXY-16-METHYLHEPTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE](/api/spectrum/EZJyYYv4jQN/structure.png?h=300&w=458 "N-[(2S,3R,4E)-1-[(TERT.-BUTYL)-DIPHENYLSILYLOXY]-3-HYDROXY-16-METHYLHEPTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE")
| SpectraBase Compound ID | CXO22ZJ4D6H |
|---|---|
| InChI | InChI=1S/C57H99NO3Si/c1-50(2)41-33-27-23-19-15-13-11-9-8-10-12-14-16-22-26-30-40-48-56(60)58-54(55(59)47-39-29-25-21-18-17-20-24-28-34-42-51(3)4)49-61-62(57(5,6)7,52-43-35-31-36-44-52)53-45-37-32-38-46-53/h31-32,35-39,43-47,50-51,54-55,59H,8-30,33-34,40-42,48-49H2,1-7H3,(H,58,60)/b47-39+/t54-,55+/m0/s1 |
| InChIKey | UHJMPXHRWLATEG-RFBMIOHESA-N |
| Mol Weight | 874.5 g/mol |
| Molecular Formula | C57H99NO3Si |
| Exact Mass | 873.739423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZJyYYv4jQN |
|---|---|
| Name | N-[(2S,3R,4E)-1-[(TERT.-BUTYL)-DIPHENYLSILYLOXY]-3-HYDROXY-16-METHYLHEPTADEC-4-EN-2-YL]-21-METHYLDOCOSANAMIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H99NO3Si |
| InChI | InChI=1S/C57H99NO3Si/c1-50(2)41-33-27-23-19-15-13-11-9-8-10-12-14-16-22-26-30-40-48-56(60)58-54(55(59)47-39-29-25-21-18-17-20-24-28-34-42-51(3)4)49-61-62(57(5,6)7,52-43-35-31-36-44-52)53-45-37-32-38-46-53/h31-32,35-39,43-47,50-51,54-55,59H,8-30,33-34,40-42,48-49H2,1-7H3,(H,58,60)/b47-39+/t54-,55+/m0/s1 |
| InChIKey | UHJMPXHRWLATEG-RFBMIOHESA-N |
| Literature Reference Author | I.MANCINI,G.GUELLA,C.DEBITUS,F.PIETRA |
| Literature Reference Citation | HELV.CHIM.ACTA,77,51(1994) |
| Literature Reference DOI | 10.1002/hlca.19940770108 |
| Molecular Weight | 874.503 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK1964 |