| SpectraBase Compound ID | GElFS29jGC1 |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-14(2)16-7-8-18-17(11-16)19(24)12-20-21(4,13-25-15(3)23)9-6-10-22(18,20)5/h11,14,16,18-20,24H,6-10,12-13H2,1-5H3/t16-,18?,19-,20?,21+,22-/m1/s1 |
| InChIKey | QLJVRLWHBDADIE-JJPYTDANSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59qpdq8Y7oP |
|---|---|
| Name | NETIDIOL-A-18-MONOACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-14(2)16-7-8-18-17(11-16)19(24)12-20-21(4,13-25-15(3)23)9-6-10-22(18,20)5/h11,14,16,18-20,24H,6-10,12-13H2,1-5H3/t16-,18?,19-,20?,21+,22-/m1/s1 |
| InChIKey | QLJVRLWHBDADIE-JJPYTDANSA-N |
| Literature Reference Author | B.M.FRAGA,M.G.HERNANDEZ,T.MESTRES,J.M.ARTEAGA |
| Literature Reference Citation | PHYTOCHEM.,47,251(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00555-4 |
| Molecular Weight | 348.526 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS49 |