| SpectraBase Compound ID | 85p1cRfSakQ |
|---|---|
| InChI | InChI=1S/C21H30O7/c1-5-12(2)19(23)27-16-10-14(21(25)26-4)8-6-7-9-15(11-22)18-17(16)13(3)20(24)28-18/h8,12,15-18,22H,3,5-7,9-11H2,1-2,4H3/b14-8+/t12?,15-,16+,17+,18+/m0/s1 |
| InChIKey | IGQINNPFGFHKHB-NJRAOMNFSA-N |
| Mol Weight | 394.46 g/mol |
| Molecular Formula | C21H30O7 |
| Exact Mass | 394.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQcDCju6qAI |
|---|---|
| Name | 4-EPIMELNERIN-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O7 |
| InChI | InChI=1S/C21H30O7/c1-5-12(2)19(23)27-16-10-14(21(25)26-4)8-6-7-9-15(11-22)18-17(16)13(3)20(24)28-18/h8,12,15-18,22H,3,5-7,9-11H2,1-2,4H3/b14-8+/t12?,15-,16+,17+,18+/m0/s1 |
| InChIKey | IGQINNPFGFHKHB-NJRAOMNFSA-N |
| Literature Reference Author | L.QUIJANO,I.S.NUNEZ,F.R.FRONCZEK,N.H.FISCHER |
| Literature Reference Citation | PHYTOCHEM.,45,769(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00025-3 |
| Molecular Weight | 394.465 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSP1551 |