![13-[3'-(p-Methoxybenzyloxy)-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid](/api/spectrum/BT6XWysugTf/structure.png?h=300&w=458 "13-[3'-(p-Methoxybenzyloxy)-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid")
| SpectraBase Compound ID | 45CD6bfVt8z |
|---|---|
| InChI | InChI=1S/C33H48O8/c1-7-18-33(5)21-30(39-22-26-13-15-27(38-6)16-14-26)28(41-33)17-12-23(2)19-24(3)29(20-25(4)34)40-32(37)11-9-8-10-31(35)36/h8,10,13-16,19,24,28-30H,7,9,11-12,17-18,20-22H2,1-6H3,(H,35,36)/b10-8-,23-19+/t24-,28+,29+,30-,33-/m1/s1 |
| InChIKey | HKQJKPSKWLYPSM-ODBHXOTESA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C33H48O8 |
| Exact Mass | 572.334918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BT6XWysugTf |
|---|---|
| Name | 13-[3'-(p-Methoxybenzyloxy)-5'-methyl-5'-propyltetrahydrofuran-2'-yl]-8-(acetylmethyl)-9,11-dimethyl-6-oxo-7-oxatrideca-2,10-dienoic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H48O8 |
| InChI | InChI=1S/C33H48O8/c1-7-18-33(5)21-30(39-22-26-13-15-27(38-6)16-14-26)28(41-33)17-12-23(2)19-24(3)29(20-25(4)34)40-32(37)11-9-8-10-31(35)36/h8,10,13-16,19,24,28-30H,7,9,11-12,17-18,20-22H2,1-6H3,(H,35,36)/b10-8-,23-19+/t24-,28+,29+,30-,33-/m1/s1 |
| InChIKey | HKQJKPSKWLYPSM-ODBHXOTESA-N |
| Molecular Weight | 572.739 g/mol |
| SMILES | OC(\C=C/CCC(O[C@]([C@@](\C=C\(CC[C@@]1(O[C@@](C[C@]1(OCc1ccc(cc1)OC)[H])(CCC)C)[H])C)(C)[H])(CC(=O)C)[H])=O)=O |
| SPLASH | splash10-00di-0900000000-24935541190f295cf7c2 |
| Source of Spectrum | QE-15-4041-56 |
| Wiley ID | 1692800 |