| SpectraBase Compound ID | 4G6bbYJkiQM |
|---|---|
| InChI | InChI=1S/C41H44N6O9S/c1-24-21-46(39(51)44-36(24)49)34-18-30(43-38(57)42-20-32-31(48)19-35(55-32)47-22-25(2)37(50)45-40(47)52)33(56-34)23-54-41(26-10-6-4-7-11-26,27-12-8-5-9-13-27)28-14-16-29(53-3)17-15-28/h4-17,21-22,30-35,48H,18-20,23H2,1-3H3,(H2,42,43,57)(H,44,49,51)(H,45,50,52)/t30-,31-,32+,33+,34+,35+/m0/s1 |
| InChIKey | NYUXRYOWHVOLJE-LOPAVLPLSA-N |
| Mol Weight | 796.9 g/mol |
| Molecular Formula | C41H44N6O9S |
| Exact Mass | 796.289048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1p9xj4QPJs9 |
|---|---|
| Name | NYUXRYOWHVOLJE-LOPAVLPLSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44N6O9S |
| InChI | InChI=1S/C41H44N6O9S/c1-24-21-46(39(51)44-36(24)49)34-18-30(43-38(57)42-20-32-31(48)19-35(55-32)47-22-25(2)37(50)45-40(47)52)33(56-34)23-54-41(26-10-6-4-7-11-26,27-12-8-5-9-13-27)28-14-16-29(53-3)17-15-28/h4-17,21-22,30-35,48H,18-20,23H2,1-3H3,(H2,42,43,57)(H,44,49,51)(H,45,50,52)/t30-,31-,32+,33+,34+,35+/m0/s1 |
| InChIKey | NYUXRYOWHVOLJE-LOPAVLPLSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 796.895 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6728 |