| SpectraBase Compound ID | E3S8PBoUemQ |
|---|---|
| InChI | InChI=1S/C25H36N2O7S/c1-13(8-21(30)26-11-18(29)16-5-6-22(35-4)27-10-16)7-19-24(32)23(31)17(12-33-19)9-20-25(34-20)14(2)15(3)28/h5-6,8,10,14-15,17,19-20,23-25,28,31-32H,7,9,11-12H2,1-4H3,(H,26,30)/b13-8+/t14-,15+,17-,19-,20+,23+,24-,25-/m1/s1 |
| InChIKey | QDKTUAFNHUPOQK-UVVOPATOSA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C25H36N2O7S |
| Exact Mass | 508.224323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLOosE7bPn3 |
|---|---|
| Name | QDKTUAFNHUPOQK-UVVOPATOSA-N |
| Compound Number | 5K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36N2O7S |
| InChI | InChI=1S/C25H36N2O7S/c1-13(8-21(30)26-11-18(29)16-5-6-22(35-4)27-10-16)7-19-24(32)23(31)17(12-33-19)9-20-25(34-20)14(2)15(3)28/h5-6,8,10,14-15,17,19-20,23-25,28,31-32H,7,9,11-12H2,1-4H3,(H,26,30)/b13-8+/t14-,15+,17-,19-,20+,23+,24-,25-/m1/s1 |
| InChIKey | QDKTUAFNHUPOQK-UVVOPATOSA-N |
| Literature Reference Author | N.J.P.BROOM,J.S.ELDER,P.C.T.HANNAN,J.E.PONS,P.J.O'HANLON,G.W ALKER,J.WILSON,P.WOO |
| Literature Reference Citation | J.ANTIBIOTICS,48,1336(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1336 |
| Molecular Weight | 508.630 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS24635 |