| SpectraBase Compound ID | F6Mi0kcGI2H |
|---|---|
| InChI | InChI=1S/C37H50N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,42H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,19-12+,23-15- |
| InChIKey | MXVMBCZRLXJVMQ-GTRHLNJYSA-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 | AVRoIYA6sJh |
|---|---|
| Name | TRIERIXIN_Q |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50N2O8S |
| InChI | InChI=1S/C37H50N2O8S/c1-23-15-14-18-27-21-29(40)35(48-5)32(34(27)43)39-31(41)22-28(46-4)19-12-7-6-8-13-20-30(24(2)33(23)42)47-37(45)25(3)38-36(44)26-16-10-9-11-17-26/h6-8,12-13,15,19,21,24-26,28,30,33,42H,9-11,14,16-18,20,22H2,1-5H3,(H,38,44)(H,39,41)/b7-6+,13-8+,19-12+,23-15- |
| InChIKey | MXVMBCZRLXJVMQ-GTRHLNJYSA-N |
| Literature Reference Author | T.KAWAMURA,E.TASHIRO,K.YAMAMOTO,K.SHINDO,M.IMOTO |
| Literature Reference Citation | J.ANTIBIOTICS,61,303(2008) |
| Literature Reference DOI | 10.1038/ja.2008.43 |
| Molecular Weight | 682.873 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB162 |