| SpectraBase Compound ID | 1BJdZJNU6Xp |
|---|---|
| InChI | InChI=1S/C28H35NO7S/c1-4-37-28-25(35-19(3)30)24(33-17-20-11-7-5-8-12-20)23(18(2)34-28)29-26(31)22-15-16-32-27(36-22)21-13-9-6-10-14-21/h5-14,18,22-25,27-28H,4,15-17H2,1-3H3,(H,29,31)/t18-,22-,23-,24+,25+,27-,28?/m1/s1 |
| InChIKey | MJZXMKJMPDLSIB-UJQFNZNMSA-N |
| Mol Weight | 529.6 g/mol |
| Molecular Formula | C28H35NO7S |
| Exact Mass | 529.213424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Y9mZx2XhrU |
|---|---|
| Name | MJZXMKJMPDLSIB-UJQFNZNMSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35NO7S |
| InChI | InChI=1S/C28H35NO7S/c1-4-37-28-25(35-19(3)30)24(33-17-20-11-7-5-8-12-20)23(18(2)34-28)29-26(31)22-15-16-32-27(36-22)21-13-9-6-10-14-21/h5-14,18,22-25,27-28H,4,15-17H2,1-3H3,(H,29,31)/t18-,22-,23-,24+,25+,27-,28?/m1/s1 |
| InChIKey | MJZXMKJMPDLSIB-UJQFNZNMSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2008) |
| Molecular Weight | 529.648 g/mol |
| Source File Reference | MHKO18675 |