| SpectraBase Compound ID | JhMfEXzeZBg |
|---|---|
| InChI | InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20?,22?,24+,25?,26?,27-,28-/m0/s1 |
| InChIKey | UURAUHCOJAIIRQ-PEMKTHBLSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C28H47NO4S |
| Exact Mass | 493.32258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQRbcaDBjXe |
|---|---|
| Name | Tiamutin |
| CAS Registry Number | 55297-95-5 |
| Comments | WH-90 AND WM-250 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H47NO4S |
| InChI | InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20?,22?,24+,25?,26?,27-,28-/m0/s1 |
| InChIKey | UURAUHCOJAIIRQ-PEMKTHBLSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | G. Schulz, H. Berner, Tetrahedron 40, 905 (1984). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |