| SpectraBase Compound ID | 2oIB2UXaF6U |
|---|---|
| InChI | InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17-,18-,20-/m1/s1 |
| InChIKey | IVQAJPUUIFQBGW-MKFBDIFTSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H36O5 |
| Exact Mass | 368.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KA4KgYIGBJ |
|---|---|
| Name | 2-(6'-CARBOMETHOXYHEXYL)-3-(E-1''-OCTEN-6''-OLYL)-4-HYDROXY-CYCLOPENTANONE;(15-DEOXY-18-HYDROXY-PGE-1) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O5 |
| InChI | InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17-,18-,20-/m1/s1 |
| InChIKey | IVQAJPUUIFQBGW-MKFBDIFTSA-N |
| Literature Reference Author | H.L.HOLLAND,F.M.BROWN,P.C.CHENCHAIAH,J.A.RAO |
| Literature Reference Citation | CAN.J.CHEM.,68,282(1990) |
| Literature Reference DOI | 10.1139/v90-039 |
| Molecular Weight | 368.514 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED15062 |