| SpectraBase Compound ID | 6VacK2Vn5ps |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-13(23)29-21(4)17(24)15-16-19(2,18(25)28-15)8-5-9-20(16,3)22(21,26)10-6-14-7-11-27-12-14/h7,11-12,15-16,26H,5-6,8-10H2,1-4H3/t15-,16-,19-,20-,21-,22-/m0/s1 |
| InChIKey | PHOWZNFLUQUNMX-VWCSCAALSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7MOi4ut3Db7 |
|---|---|
| Name | Leopersin E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-13(23)29-21(4)17(24)15-16-19(2,18(25)28-15)8-5-9-20(16,3)22(21,26)10-6-14-7-11-27-12-14/h7,11-12,15-16,26H,5-6,8-10H2,1-4H3/t15-,16-,19-,20-,21-,22-/m0/s1 |
| InChIKey | PHOWZNFLUQUNMX-VWCSCAALSA-N |
| Molecular Weight | 404.459 g/mol |
| SMILES | O[C@@]1([C@](C([C@@]2([C@]3([C@@](CCC[C@]13C)(C)C(O2)=O)[H])[H])=O)(OC(=O)C)C)CCc1cocc1 |
| SPLASH | splash10-0a5d-4910000000-3ac6841e8e42eea8c7f9 |
| Source of Spectrum | G4-59-134-4 |
| Wiley ID | 1606179 |