| SpectraBase Compound ID | GWmEar1Uncn |
|---|---|
| InChI | InChI=1S/C17H24N4O2.2C2HF3O2/c18-8-3-4-9-19-10-5-11-20-17(23)16(22)14-12-21-15-7-2-1-6-13(14)15;2*3-2(4,5)1(6)7/h1-2,6-7,12,19,21H,3-5,8-11,18H2,(H,20,23);2*(H,6,7) |
| InChIKey | WJRPXTQWEOHPKU-UHFFFAOYSA-N |
| Mol Weight | 544.451 g/mol |
| Molecular Formula | C21H26F6N4O6 |
| Exact Mass | 544.175654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DiBFTmifBhP |
|---|---|
| Name | DIDEMNIDINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26F6N4O6 |
| InChI | InChI=1S/C17H24N4O2.2C2HF3O2/c18-8-3-4-9-19-10-5-11-20-17(23)16(22)14-12-21-15-7-2-1-6-13(14)15;2*3-2(4,5)1(6)7/h1-2,6-7,12,19,21H,3-5,8-11,18H2,(H,20,23);2*(H,6,7) |
| InChIKey | WJRPXTQWEOHPKU-UHFFFAOYSA-N |
| Literature Reference Author | R.FINLAYSON,A.N.PEARCE,M.J.PAGE,M.KAISER,M.L.BOURGET-KONDRAC KI,J.L.HARPER,V.L.WE |
| Literature Reference Citation | J.NAT.PROD.,74,888(2011) |
| Literature Reference DOI | 10.1021/np1008619 |
| Molecular Weight | 544.451 g/mol |
| Sample ID | 38023 |
| Solvent | DMSO-D6 |