| SpectraBase Compound ID | 1CSJe6BMdL9 |
|---|---|
| InChI | InChI=1S/C25H35NO11S/c1-4-14-33-25(28)26-20-22(37-38(3,29)30)21-18(16-34-23(36-21)17-11-7-5-8-12-17)35-24(20)32-15-10-6-9-13-19(27)31-2/h4-5,7-8,11-12,18,20-24H,1,6,9-10,13-16H2,2-3H3,(H,26,28)/t18-,20-,21-,22+,23-,24-/m1/s1 |
| InChIKey | YZIGUQVZBODXCZ-VBYLYSNGSA-N |
| Mol Weight | 557.6 g/mol |
| Molecular Formula | C25H35NO11S |
| Exact Mass | 557.193082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BHuweHSfI9 |
|---|---|
| Name | YZIGUQVZBODXCZ-VBYLYSNGSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35NO11S |
| InChI | InChI=1S/C25H35NO11S/c1-4-14-33-25(28)26-20-22(37-38(3,29)30)21-18(16-34-23(36-21)17-11-7-5-8-12-17)35-24(20)32-15-10-6-9-13-19(27)31-2/h4-5,7-8,11-12,18,20-24H,1,6,9-10,13-16H2,2-3H3,(H,26,28)/t18-,20-,21-,22+,23-,24-/m1/s1 |
| InChIKey | YZIGUQVZBODXCZ-VBYLYSNGSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 557.613 g/mol |
| Source File Reference | MHKO20461 |