![13-[3'-(p-Methoxybenzyloxy)-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatridec-10-enoic acid](/api/spectrum/52oS8lZwV8F/structure.png?h=300&w=458 "13-[3'-(p-Methoxybenzyloxy)-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatridec-10-enoic acid")
| SpectraBase Compound ID | LIOW8zpEGUQ |
|---|---|
| InChI | InChI=1S/C34H52O8/c1-8-17-34(6)21-31(40-22-27-11-13-28(39-7)14-12-27)29(42-34)15-9-23(2)18-25(4)30(20-26(5)35)41-33(38)19-24(3)10-16-32(36)37/h11-14,18,24-25,29-31H,8-10,15-17,19-22H2,1-7H3,(H,36,37)/b23-18+/t24-,25-,29+,30+,31-,34-/m1/s1 |
| InChIKey | PIOPSMCCFFFVJG-HHJBBZCCSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C34H52O8 |
| Exact Mass | 588.366219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 52oS8lZwV8F |
|---|---|
| Name | 13-[3'-(p-Methoxybenzyloxy)-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 | 588.366218626 u |
| Formula | C34H52O8 |
| InChI | InChI=1S/C34H52O8/c1-8-17-34(6)21-31(40-22-27-11-13-28(39-7)14-12-27)29(42-34)15-9-23(2)18-25(4)30(20-26(5)35)41-33(38)19-24(3)10-16-32(36)37/h11-14,18,24-25,29-31H,8-10,15-17,19-22H2,1-7H3,(H,36,37)/b23-18+/t24-,25-,29+,30+,31-,34-/m1/s1 |
| InChIKey | PIOPSMCCFFFVJG-HHJBBZCCSA-N |
| Molecular Weight | 588.782 g/mol |
| SMILES | [C@]1(O[C@]([C@@](C1)(OCC1=CC=C(C=C1)OC)[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 |