| SpectraBase Compound ID | KB3RSjcQPsC |
|---|---|
| InChI | InChI=1S/C25H27Cl3O5/c1-12-5-6-16(26)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(28)11-18(27)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,29-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1 |
| InChIKey | TUASWIIAAPWHMO-WLZKHMNMSA-N |
| Mol Weight | 513.85 g/mol |
| Molecular Formula | C25H27Cl3O5 |
| Exact Mass | 512.092407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeqMcPVQJNW |
|---|---|
| Name | NAPYRADIOMYCIN_C2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H27Cl3O5 |
| InChI | InChI=1S/C25H27Cl3O5/c1-12-5-6-16(26)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(28)11-18(27)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,29-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1 |
| InChIKey | TUASWIIAAPWHMO-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 | 513.845 g/mol |
| Sample ID | 27618 |
| Solvent | CDCl3 |