| SpectraBase Compound ID | Ji12o7qThZi |
|---|---|
| InChI | InChI=1S/C25H35ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h6-7,9-10,18-20,23,31H,5,8,11-15H2,1-4H3/b7-6-,10-9-/t18-,19-,20-,23+,24-,25-/m0/s1 |
| InChIKey | AWXCNPWUTHUKNK-SOYHLXHPSA-N |
| Mol Weight | 515.0 g/mol |
| Molecular Formula | C25H35ClO9 |
| Exact Mass | 514.19696 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9ad5J9Oat3E |
|---|---|
| Name | Punaglandin-4 - epoxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H35ClO9 |
| InChI | InChI=1S/C25H35ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h6-7,9-10,18-20,23,31H,5,8,11-15H2,1-4H3/b7-6-,10-9-/t18-,19-,20-,23+,24-,25-/m0/s1 |
| InChIKey | AWXCNPWUTHUKNK-SOYHLXHPSA-N |
| Molecular Weight | 514.999 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](O2)(C([C@@]1(C[C@](OC(=O)C)([C@@](OC(=O)C)(CCCC(=O)OC)[H])[H])[H])=O)Cl)[H])C\C=C/C\C=C/CC |
| SPLASH | splash10-0006-9033100000-43985c2f5e0ff6db9e0e |
| Source of Spectrum | X2-57-1352-14 |
| Wiley ID | 1605676 |