![7-[5-acetyloxy-2-(2-formylvinyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-5-heptenoic acid, methyl ester, [1alpha(Z),2beta(1E),3alpha,5alpha]-](/api/spectrum/AOnvbfZs3Rl/structure.png?h=300&w=458 "7-[5-acetyloxy-2-(2-formylvinyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-5-heptenoic acid, methyl ester, [1alpha(Z),2beta(1E),3alpha,5alpha]-")
| SpectraBase Compound ID | AXk3btKaJsw |
|---|---|
| InChI | InChI=1S/C23H34O7/c1-17(25)29-20-16-21(30-23-13-7-8-15-28-23)19(11-9-14-24)18(20)10-5-3-4-6-12-22(26)27-2/h3,5,9,11,14,18-21,23H,4,6-8,10,12-13,15-16H2,1-2H3/b5-3-,11-9+/t18-,19-,20+,21-,23?/m1/s1 |
| InChIKey | DAXJQHWJNVAPLQ-GFUFVNLDSA-N |
| Mol Weight | 422.5 g/mol |
| Molecular Formula | C23H34O7 |
| Exact Mass | 422.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOnvbfZs3Rl |
|---|---|
| Name | 7-[5-Acetyloxy-2-(2-formylvinyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentyl]-5-heptenoic acid, methyl ester, [1alpha(Z),2beta(1E),3alpha,5alpha]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.230453428 u |
| Formula | C23H34O7 |
| InChI | InChI=1S/C23H34O7/c1-17(25)29-20-16-21(30-23-13-7-8-15-28-23)19(11-9-14-24)18(20)10-5-3-4-6-12-22(26)27-2/h3,5,9,11,14,18-21,23H,4,6-8,10,12-13,15-16H2,1-2H3/b5-3-,11-9+/t18-,19-,20+,21-,23?/m1/s1 |
| InChIKey | DAXJQHWJNVAPLQ-GFUFVNLDSA-N |
| Molecular Weight | 422.518 g/mol |
| SMILES | [C@]1([C@@]([C@@](C\C=C/CCCC(=O)OC)([C@](C1)(OC(=O)C)[H])[H])(\C=C\C=O)[H])(OC1OCCCC1)[H] |