| SpectraBase Compound ID | 9ao1gB6dsCu |
|---|---|
| InChI | InChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3/t12-,15+,16-,24+,25+/m1/s1 |
| InChIKey | HYDZZTKLIACTQZ-NLBVGZHFSA-N |
| Mol Weight | 541.86 g/mol |
| Molecular Formula | C25H27Cl3N2O5 |
| Exact Mass | 540.098555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9ELhfYQV43 |
|---|---|
| Name | 7-DEMETHYL_A80915B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H27Cl3N2O5 |
| InChI | InChI=1S/C25H27Cl3N2O5/c1-11-6-7-15(26)22(2,3)12(11)9-25-21(34)18-17(13(31)8-14(32)19(18)30-29)20(33)24(25,28)10-16(27)23(4,5)35-25/h8,12,15-16,31H,1,6-7,9-10H2,2-5H3/t12-,15+,16-,24+,25+/m1/s1 |
| InChIKey | HYDZZTKLIACTQZ-NLBVGZHFSA-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 | 541.859 g/mol |
| Sample ID | 27625 |
| Solvent | CDCl3 |