| SpectraBase Compound ID | 2dubShVplQf |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-18,23-24H,8-12H2,1-2H3/t14-,15-,16+,17+,18-,21+,22-/m0/s1 |
| InChIKey | JFDJCTFKYXUXCK-CPFFRADYSA-N |
| Mol Weight | 388.46 g/mol |
| Molecular Formula | C22H28O6 |
| Exact Mass | 388.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5BFWMw9oNUl |
|---|---|
| Name | Desacetylpebrolide |
| CAS Registry Number | 79297-77-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O6 |
| InChI | InChI=1S/C22H28O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-18,23-24H,8-12H2,1-2H3/t14-,15-,16+,17+,18-,21+,22-/m0/s1 |
| InChIKey | JFDJCTFKYXUXCK-CPFFRADYSA-N |
| Molecular Weight | 388.460 g/mol |
| SMILES | OC[C@@]1([C@@]2([C@@](C[C@]3([C@@]([C@]2([C@@](CC1)(O)[H])C)(COC3=O)[H])[H])(OC(=O)c1ccccc1)[H])[H])C |
| SPLASH | splash10-0a4i-0960000000-b08655450a9071ac24f4 |
| Source of Spectrum | F-37-652-0 |
| Wiley ID | 1363854 |