| SpectraBase Compound ID | 90Mhfjt7w3y |
|---|---|
| InChI | InChI=1S/C21H36O8/c1-7-8-9-15(22)10-11-16(23)29-17-12(2)18(24)21(5,27-6)19(25)13(3)20(26)28-14(17)4/h10-15,17-19,22,24-25H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,15?,17-,18+,19-,21-/m0/s1 |
| InChIKey | GJLPOSLGYAWPGK-MEENNMKUSA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C21H36O8 |
| Exact Mass | 416.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgOWjzwb1Zo |
|---|---|
| Name | 4-O-METHYL-BOTCINOLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O8 |
| InChI | InChI=1S/C21H36O8/c1-7-8-9-15(22)10-11-16(23)29-17-12(2)18(24)21(5,27-6)19(25)13(3)20(26)28-14(17)4/h10-15,17-19,22,24-25H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,15?,17-,18+,19-,21-/m0/s1 |
| InChIKey | GJLPOSLGYAWPGK-MEENNMKUSA-N |
| Literature Reference Author | I.G.COLLADO,J.ALEU,R.HERNANDEZ-GALAN,J.R.HANSON |
| Literature Reference Citation | PHYTOCHEM.,42,1621(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00164-1 |
| Molecular Weight | 416.512 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWVN3256 |