| SpectraBase Compound ID | 9QaRRXE2jfC |
|---|---|
| InChI | InChI=1S/C28H34N4O10S/c1-10(33)30-14(27(40)41)9-43-16-8-15(31(2)3)12-6-11-7-13-20(32(4)5)23(36)19(26(29)39)25(38)28(13,42)24(37)17(11)22(35)18(12)21(16)34/h8,11,13-14,20,34,36-37,42H,6-7,9H2,1-5H3,(H2,29,39)(H,30,33)(H,40,41)/t11-,13-,14?,20?,28-/m0/s1 |
| InChIKey | PDWCQYZZXRFMPK-MLENAUCLSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C28H34N4O10S |
| Exact Mass | 618.199564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WFoPjUbrI8 |
|---|---|
| Name | MAJOR-DIASTEREOMER |
| Compound Number | M6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34N4O10S |
| InChI | InChI=1S/C28H34N4O10S/c1-10(33)30-14(27(40)41)9-43-16-8-15(31(2)3)12-6-11-7-13-20(32(4)5)23(36)19(26(29)39)25(38)28(13,42)24(37)17(11)22(35)18(12)21(16)34/h8,11,13-14,20,34,36-37,42H,6-7,9H2,1-5H3,(H2,29,39)(H,30,33)(H,40,41)/t11-,13-,14?,20?,28-/m0/s1 |
| InChIKey | PDWCQYZZXRFMPK-MLENAUCLSA-N |
| Literature Reference Author | B.MANNARGUDI,D.MCNALLY,W.REYNOLDS,J.UETRECHT |
| Literature Reference Citation | DRUG.MET.DISP.,37,1806(2009) |
| Literature Reference DOI | 10.1124/dmd.109.027292 |
| Molecular Weight | 618.659 g/mol |
| Source File Reference | UWLU74077 |