| SpectraBase Compound ID | JMhwZjIRXf2 |
|---|---|
| InChI | InChI=1S/C25H28Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,19,28,30H,1,6-7,9,12H2,2-5H3/b14-8+/t19-,24+,25+/m1/s1 |
| InChIKey | YAMAETJPGJWVHQ-PNKDXEPVSA-N |
| Mol Weight | 495.4 g/mol |
| Molecular Formula | C25H28Cl2O6 |
| Exact Mass | 494.126294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aJkzIRSIg9 |
|---|---|
| Name | 16-OXONAPYRADIOMYCIN_A2 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28Cl2O6 |
| InChI | InChI=1S/C25H28Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,19,28,30H,1,6-7,9,12H2,2-5H3/b14-8+/t19-,24+,25+/m1/s1 |
| InChIKey | YAMAETJPGJWVHQ-PNKDXEPVSA-N |
| Literature Reference Author | K.MOTOHASHI,M.SUE,K.FURIHATA,S.ITO,H.SETO |
| Literature Reference Citation | J.NAT.PROD.,71,595(2008) |
| Literature Reference DOI | 10.1021/np070575a |
| Molecular Weight | 495.400 g/mol |
| Sample ID | 27621 |
| Solvent | CDCl3 |