![13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatridec-10-enoic acid](/api/spectrum/E1P3IZqucZ/structure.png?h=300&w=458 "13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatridec-10-enoic acid")
| SpectraBase Compound ID | EgNINBr7DbS |
|---|---|
| InChI | InChI=1S/C26H44O7/c1-7-12-26(6)16-21(28)22(33-26)10-8-17(2)13-19(4)23(15-20(5)27)32-25(31)14-18(3)9-11-24(29)30/h13,18-19,21-23,28H,7-12,14-16H2,1-6H3,(H,29,30)/b17-13+/t18-,19-,21-,22+,23+,26-/m1/s1 |
| InChIKey | YZWKRWICMGMVHJ-CCPONKBLSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C26H44O7 |
| Exact Mass | 468.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1P3IZqucZ |
|---|---|
| Name | 13-[3'-Hydroxy-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatridec-10-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.308703750 u |
| Formula | C26H44O7 |
| InChI | InChI=1S/C26H44O7/c1-7-12-26(6)16-21(28)22(33-26)10-8-17(2)13-19(4)23(15-20(5)27)32-25(31)14-18(3)9-11-24(29)30/h13,18-19,21-23,28H,7-12,14-16H2,1-6H3,(H,29,30)/b17-13+/t18-,19-,21-,22+,23+,26-/m1/s1 |
| InChIKey | YZWKRWICMGMVHJ-CCPONKBLSA-N |
| Molecular Weight | 468.631 g/mol |
| SMILES | [C@]1(O[C@]([C@@](C1)(O)[H])(CC\C(=C\[C@]([C@@](OC(=O)C[C@@](CCC(=O)O)(C)[H])(CC(=O)C)[H])(C)[H])C)[H])(CCC)C |