| SpectraBase Compound ID | K9p9Erd06xl |
|---|---|
| InChI | InChI=1S/C45H91NO4Si3/c1-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-43(49-52(6,7)8)42(41-48-51(3,4)5)46-45(47)44(50-53(9,10)11)40-38-36-34-32-30-27-25-23-21-19-17-15-13-2/h18,20,24,26,37,39,42-44H,12-17,19,21-23,25,27-36,38,40-41H2,1-11H3,(H,46,47)/b20-18+,26-24+,39-37+ |
| InChIKey | LXUMORAPNVVBLC-PJGRHBBMSA-N |
| Mol Weight | 794.5 g/mol |
| Molecular Formula | C45H91NO4Si3 |
| Exact Mass | 793.62559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwRZ2WrLldm |
|---|---|
| Name | 1,3,2'-Tris(trimethylsilyloxy)-N-(2-hydroxyheptadecenoyl)nonadecasphingadienine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 793.625590015 u |
| Formula | C45H91NO4Si3 |
| InChI | InChI=1S/C45H91NO4Si3/c1-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-43(49-52(6,7)8)42(41-48-51(3,4)5)46-45(47)44(50-53(9,10)11)40-38-36-34-32-30-27-25-23-21-19-17-15-13-2/h18,20,24,26,37,39,42-44H,12-17,19,21-23,25,27-36,38,40-41H2,1-11H3,(H,46,47)/b20-18+,26-24+,39-37+ |
| InChIKey | LXUMORAPNVVBLC-PJGRHBBMSA-N |
| Molecular Weight | 794.481 g/mol |
| SMILES | C(C(C(\C=C\CCCCC\C=C\C\C=C\CCCC)O[Si](C)(C)C)NC(=O)C(CCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C |