| SpectraBase Compound ID | CQx0S5BNfM3 |
|---|---|
| InChI | InChI=1S/C28H34N4O10S/c1-11(33)30-15(25(39)40)10-43-28-12(8-13-16(31(2)3)6-7-17(34)18(13)23(28)37)9-14-20(32(4)5)21(35)19(24(29)38)22(36)27(14,42)26(28)41/h6-7,12,14-15,20,34-35,42H,8-10H2,1-5H3,(H2,29,38)(H,30,33)(H,39,40)/t12-,14-,15?,20?,27+,28?/m0/s1 |
| InChIKey | OLGHAPHKGGQANH-UMJMMZFXSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C28H34N4O10S |
| Exact Mass | 618.199564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HtuAgQqKlqC |
|---|---|
| Name | OLGHAPHKGGQANH-UMJMMZFXSA-N |
| Compound Number | M5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34N4O10S |
| InChI | InChI=1S/C28H34N4O10S/c1-11(33)30-15(25(39)40)10-43-28-12(8-13-16(31(2)3)6-7-17(34)18(13)23(28)37)9-14-20(32(4)5)21(35)19(24(29)38)22(36)27(14,42)26(28)41/h6-7,12,14-15,20,34-35,42H,8-10H2,1-5H3,(H2,29,38)(H,30,33)(H,39,40)/t12-,14-,15?,20?,27+,28?/m0/s1 |
| InChIKey | OLGHAPHKGGQANH-UMJMMZFXSA-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 | UWLU74076 |