| SpectraBase Compound ID | 55UCvAoX02r |
|---|---|
| InChI | InChI=1S/C25H28Cl2O6/c1-12-5-6-16(28)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(27)11-18(26)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,28-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1 |
| InChIKey | UTXOFYRFSXYWKW-WLZKHMNMSA-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 | 2V2Hr9J2VzM |
|---|---|
| Name | 16-DECHLORO-16-HYDROXYNAPYRADIOMYCIN_C2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28Cl2O6 |
| InChI | InChI=1S/C25H28Cl2O6/c1-12-5-6-16(28)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(27)11-18(26)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,28-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1 |
| InChIKey | UTXOFYRFSXYWKW-WLZKHMNMSA-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 | 27617 |
| Solvent | CDCl3 |