| SpectraBase Compound ID | KhpTiU7trOX |
|---|---|
| InChI | InChI=1S/C26H29NO5/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/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23-,25+,26+/m1/s1 |
| InChIKey | QWVOGENNJWSIPL-JWMJNCAXSA-N |
| Mol Weight | 435.52 g/mol |
| Molecular Formula | C26H29NO5 |
| Exact Mass | 435.204573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5P0bSaS4paf |
|---|---|
| Name | AFLAQUINOLONE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H29NO5 |
| InChI | InChI=1S/C26H29NO5/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/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23-,25+,26+/m1/s1 |
| InChIKey | QWVOGENNJWSIPL-JWMJNCAXSA-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 | 435.520 g/mol |
| Sample ID | 40194 |
| Solvent | ACETONE-D6 |