| SpectraBase Compound ID | 65a421SXEoq |
|---|---|
| InChI | InChI=1S/C18H27NO6/c1-4-12-9-11(2)17(3,22)16(21)24-10-18(23)6-8-19-7-5-13(14(18)19)25-15(12)20/h4,11,13-14,22-23H,5-10H2,1-3H3/b12-4-/t11-,13-,14?,17?,18+/m1/s1 |
| InChIKey | NWJOXMONIDEQEY-AYLTXBFOSA-N |
| Mol Weight | 353.42 g/mol |
| Molecular Formula | C18H27NO6 |
| Exact Mass | 353.183838 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 34KHQDCXT6 |
|---|---|
| Name | Hadiensine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H27NO6 |
| InChI | InChI=1S/C18H27NO6/c1-4-12-9-11(2)17(3,22)16(21)24-10-18(23)6-8-19-7-5-13(14(18)19)25-15(12)20/h4,11,13-14,22-23H,5-10H2,1-3H3/b12-4-/t11-,13-,14?,17?,18+/m1/s1 |
| InChIKey | NWJOXMONIDEQEY-AYLTXBFOSA-N |
| Molecular Weight | 353.415 g/mol |
| SMILES | OC1([C@@](C\C(C(O[C@]2(C3[C@@](COC1=O)(CCN3CC2)O)[H])=O)=C/C)(C)[H])C |
| SPLASH | splash10-0016-9401000000-b3754c1b1a5ecdfb7a86 |
| Source of Spectrum | X2-54-497-2 |
| Wiley ID | 1604012 |