| SpectraBase Compound ID | 3jGz6k5aWTG |
|---|---|
| InChI | InChI=1S/C24H36O4.2C2H4O2/c1-15(25)20-7-8-22-19-6-5-17-13-18(27-4)9-11-23(17,3)21(19)10-12-24(20,22)14-28-16(2)26;2*1-2(3)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3;2*1H3,(H,3,4) |
| InChIKey | WHPKBDBSXKNNCA-UHFFFAOYSA-N |
| Mol Weight | 508.65 g/mol |
| Molecular Formula | C28H44O8 |
| Exact Mass | 508.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4SALw6j1MD |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 508.303618369 u |
| Formula | C28H44O8 |
| InChI | InChI=1S/C24H36O4.2C2H4O2/c1-15(25)20-7-8-22-19-6-5-17-13-18(27-4)9-11-23(17,3)21(19)10-12-24(20,22)14-28-16(2)26;2*1-2(3)4/h7,17-19,21-22H,5-6,8-14H2,1-4H3;2*1H3,(H,3,4) |
| InChIKey | WHPKBDBSXKNNCA-UHFFFAOYSA-N |
| Molecular Weight | 508.652 g/mol |
| Nominal Mass | 508 u |
| SMILES | OC(C)=O.COC1CCC2(C(C1)CCC1C2CCC2(C1CC=C2C(=O)C)COC(C)=O)C.OC(C)=O |