| SpectraBase Compound ID | 10fhtWyFqQh |
|---|---|
| InChI | InChI=1S/C26H31NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20+,23+,25+,26-/m0/s1 |
| InChIKey | VHCOEFMALBJZLE-AXOBRITRSA-N |
| Mol Weight | 437.54 g/mol |
| Molecular Formula | C26H31NO5 |
| Exact Mass | 437.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 533T6lAQMGb |
|---|---|
| Name | AFLAQUINOLONE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H31NO5 |
| InChI | InChI=1S/C26H31NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20+,23+,25+,26-/m0/s1 |
| InChIKey | VHCOEFMALBJZLE-AXOBRITRSA-N |
| Literature Reference Author | S.A.NEFF,S.U.LEE,Y.ASAMI,J.S.AHN,H.OH,J.BALTRUSAITIS,J.B.GLO ER,D.T.WICKLOW |
| Literature Reference Citation | J.NAT.PROD.,75,464(2012) |
| Literature Reference DOI | 10.1021/np200958r |
| Molecular Weight | 437.536 g/mol |
| Sample ID | 40190 |
| Solvent | CDCl3 |