| SpectraBase Compound ID | Exs0M0caJME |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-3-4-7-10-17-13-14-19-18(20(24)15-21(19)26-16(2)23)11-8-5-6-9-12-22(25)27-17/h5,8,13-14,17-21,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t17?,18-,19-,20-,21-/m1/s1 |
| InChIKey | DKLUJLHAYRSKSQ-ADBOQGRUSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H44HoC5LJ8B |
|---|---|
| Name | 9-Epiprostaglandin F(2.alpha.) 1,15-lactone 11-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-3-4-7-10-17-13-14-19-18(20(24)15-21(19)26-16(2)23)11-8-5-6-9-12-22(25)27-17/h5,8,13-14,17-21,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t17?,18-,19-,20-,21-/m1/s1 |
| InChIKey | DKLUJLHAYRSKSQ-ADBOQGRUSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | [C@]1([C@@]2(\C=C\C(OC(=O)CCC\C=C/C[C@]2([C@@](C1)(O)[H])[H])CCCCC)[H])(OC(=O)C)[H] |