| SpectraBase Compound ID | GGz2KWxdpLq |
|---|---|
| InChI | InChI=1S/C17H23BrN4O2.2C2HF3O2/c18-12-4-5-13-14(11-22-15(13)10-12)16(23)17(24)21-9-3-8-20-7-2-1-6-19;2*3-2(4,5)1(6)7/h4-5,10-11,20,22H,1-3,6-9,19H2,(H,21,24);2*(H,6,7) |
| InChIKey | XNDFVQHIMZMSCA-UHFFFAOYSA-N |
| Mol Weight | 623.347 g/mol |
| Molecular Formula | C21H25BrF6N4O6 |
| Exact Mass | 622.086167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8N8ZbJmYrGK |
|---|---|
| Name | DIDEMNIDINE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25BrF6N4O6 |
| InChI | InChI=1S/C17H23BrN4O2.2C2HF3O2/c18-12-4-5-13-14(11-22-15(13)10-12)16(23)17(24)21-9-3-8-20-7-2-1-6-19;2*3-2(4,5)1(6)7/h4-5,10-11,20,22H,1-3,6-9,19H2,(H,21,24);2*(H,6,7) |
| InChIKey | XNDFVQHIMZMSCA-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 | 623.347 g/mol |
| Sample ID | 38024 |
| Solvent | DMSO-D6 |