| SpectraBase Compound ID | 33pjGzmxCP0 |
|---|---|
| InChI | InChI=1S/C23H30O7S/c1-6-22(4,25)20(14-29-18-9-7-17(28-5)8-10-18)30-31(26,27)15-23-12-11-16(13-19(23)24)21(23,2)3/h1,7-10,16,20,25H,11-15H2,2-5H3/t16-,20?,22?,23-/m1/s1 |
| InChIKey | XHIRAHWDSFBURP-QWFQYBKFSA-N |
| Mol Weight | 450.55 g/mol |
| Molecular Formula | C23H30O7S |
| Exact Mass | 450.171224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QvzzzVj9e5 |
|---|---|
| Name | XHIRAHWDSFBURP-QWFQYBKFSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30O7S |
| InChI | InChI=1S/C23H30O7S/c1-6-22(4,25)20(14-29-18-9-7-17(28-5)8-10-18)30-31(26,27)15-23-12-11-16(13-19(23)24)21(23,2)3/h1,7-10,16,20,25H,11-15H2,2-5H3/t16-,20?,22?,23-/m1/s1 |
| InChIKey | XHIRAHWDSFBURP-QWFQYBKFSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 450.547 g/mol |
| Source File Reference | MHKO8197 |