![Eicosapentaenoic acid, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(1-oxohexadecyl) oxy]ethyl ester, (R)-](/api/spectrum/2zlh0U1ucfJ/structure.png?h=300&w=458 "Eicosapentaenoic acid, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(1-oxohexadecyl) oxy]ethyl ester, (R)-")
| SpectraBase Compound ID | 3Pw8RxkAXL0 |
|---|---|
| InChI | InChI=1S/C45H80O5Si/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-44(47)50-42(41-49-51(6,7)45(3,4)5)40-48-43(46)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2/h23-25,27,29,31,33,35,37,39,42H,8-22,26,28,30,32,34,36,38,40-41H2,1-7H3/b24-23+,27-25+,31-29+,35-33+,39-37-/t42-/m1/s1 |
| InChIKey | XWFHKRSKIDLAAN-QNTKDAJBSA-N |
| Mol Weight | 729.2 g/mol |
| Molecular Formula | C45H80O5Si |
| Exact Mass | 728.577502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zlh0U1ucfJ |
|---|---|
| Name | Eicosapentaenoic acid, 1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[(1-oxohexadecyl) oxy]ethyl ester, (R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 728.577502206 u |
| Formula | C45H80O5Si |
| InChI | InChI=1S/C45H80O5Si/c1-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-44(47)50-42(41-49-51(6,7)45(3,4)5)40-48-43(46)38-36-34-32-30-28-26-21-19-17-15-13-11-9-2/h23-25,27,29,31,33,35,37,39,42H,8-22,26,28,30,32,34,36,38,40-41H2,1-7H3/b24-23+,27-25+,31-29+,35-33+,39-37-/t42-/m1/s1 |
| InChIKey | XWFHKRSKIDLAAN-QNTKDAJBSA-N |
| Molecular Weight | 729.215 g/mol |
| SMILES | C([Si](OC[C@](OC(\C=C/C=C/C=C/C=C/C=C/CCCCCCCCC)=O)(COC(=O)CCCCCCCCCCCCCCC)[H])(C)C)(C)(C)C |