| SpectraBase Compound ID | Ceg523j5IJF |
|---|---|
| InChI | InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1 |
| InChIKey | VCXCXXJJHZVDSD-GJGHSUIPSA-N |
| Mol Weight | 324.47 g/mol |
| Molecular Formula | C21H28N2O |
| Exact Mass | 324.220164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXGPun5pn0B |
|---|---|
| Name | 9-DEACETYLFUMIGACLAVINE_C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28N2O |
| InChI | InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1 |
| InChIKey | VCXCXXJJHZVDSD-GJGHSUIPSA-N |
| Literature Reference Author | H.M.GE,Z.G.YU,J.ZHANG,J.H.WU,R.X.TAN |
| Literature Reference Citation | J.NAT.PROD.,72,753(2009) |
| Literature Reference DOI | 10.1021/np800700e |
| Molecular Weight | 324.466 g/mol |
| Sample ID | 32480 |
| Solvent | CDCl3 |