| SpectraBase Compound ID | FNDXulPn8Xf |
|---|---|
| InChI | InChI=1S/C27H31N5O7S/c1-2-37-26(35)21-16-40-25(31-21)19-11-12-22(33)28-13-7-6-10-18(24-30-20(15-38-24)23(34)29-19)32-27(36)39-14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-19H,2,6-7,10-14H2,1H3,(H,28,33)(H,29,34)(H,32,36)/t18-,19-/m0/s1 |
| InChIKey | XQOQTYLICMGCBF-OALUTQOASA-N |
| Mol Weight | 569.63 g/mol |
| Molecular Formula | C27H31N5O7S |
| Exact Mass | 569.19442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjXsivDEI5k |
|---|---|
| Name | XQOQTYLICMGCBF-OALUTQOASA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31N5O7S |
| InChI | InChI=1S/C27H31N5O7S/c1-2-37-26(35)21-16-40-25(31-21)19-11-12-22(33)28-13-7-6-10-18(24-30-20(15-38-24)23(34)29-19)32-27(36)39-14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-19H,2,6-7,10-14H2,1H3,(H,28,33)(H,29,34)(H,32,36)/t18-,19-/m0/s1 |
| InChIKey | XQOQTYLICMGCBF-OALUTQOASA-N |
| Literature Reference Author | Y.SINGH,M.J.STOERMER,A.J.LUCKE,M.P.GLENN,D.P.FAIRLIE |
| Literature Reference Citation | ORG.LETTERS,4,3367(2002) |
| Literature Reference DOI | 10.1021/ol026463m |
| Molecular Weight | 569.632 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI27061 |