| SpectraBase Compound ID | 6sOt1ul9Zqb |
|---|---|
| InChI | InChI=1S/C37H50N2O8S/c1-23-15-14-19-28-34(43)29(22-30(40)35(28)48-5)39-32(41)21-27(46-4)18-12-7-6-8-13-20-31(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,18,22,24-27,31,33,42H,9-11,14,16-17,19-21H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,18-12+,23-15- |
| InChIKey | NJCTWUSOTYPZSD-CMOBWZJLSA-N |
| Mol Weight | 682.9 g/mol |
| Molecular Formula | C37H50N2O8S |
| Exact Mass | 682.328788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mse7aLJBoD |
|---|---|
| Name | QUINOTRIERIXIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50N2O8S |
| InChI | InChI=1S/C37H50N2O8S/c1-23-15-14-19-28-34(43)29(22-30(40)35(28)48-5)39-32(41)21-27(46-4)18-12-7-6-8-13-20-31(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,18,22,24-27,31,33,42H,9-11,14,16-17,19-21H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,18-12+,23-15- |
| InChIKey | NJCTWUSOTYPZSD-CMOBWZJLSA-N |
| Literature Reference Author | T.KAWAMURA,E.TASHIRO,K.SHINDO,M.IMOTO |
| Literature Reference Citation | J.ANTIBIOTICS,61,312(2008) |
| Literature Reference DOI | 10.1038/ja.2008.44 |
| Molecular Weight | 682.873 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB168 |