| SpectraBase Compound ID | KKBgHOfoi16 |
|---|---|
| InChI | InChI=1S/C40H42F6N4O9S/c1-56-28-12-8-26(9-13-28)38(25-6-4-3-5-7-25,27-10-14-29(57-2)15-11-27)58-22-30-32(52)33(34(59-30)50-21-18-31(51)49-37(50)55)60-23-24(16-19-47-35(53)39(41,42)43)17-20-48-36(54)40(44,45)46/h3-15,18,21,24,30,32-34,52H,16-17,19-20,22-23H2,1-2H3,(H,47,53)(H,48,54)(H,49,51,55)/t30-,32-,33-,34-/m0/s1 |
| InChIKey | FQQWEARKCCFNSI-DYTOPAQESA-N |
| Mol Weight | 868.8 g/mol |
| Molecular Formula | C40H42F6N4O9S |
| Exact Mass | 868.257669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kx1spY1yiSb |
|---|---|
| Name | FQQWEARKCCFNSI-DYTOPAQESA-N |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42F6N4O9S |
| InChI | InChI=1S/C40H42F6N4O9S/c1-56-28-12-8-26(9-13-28)38(25-6-4-3-5-7-25,27-10-14-29(57-2)15-11-27)58-22-30-32(52)33(34(59-30)50-21-18-31(51)49-37(50)55)60-23-24(16-19-47-35(53)39(41,42)43)17-20-48-36(54)40(44,45)46/h3-15,18,21,24,30,32-34,52H,16-17,19-20,22-23H2,1-2H3,(H,47,53)(H,48,54)(H,49,51,55)/t30-,32-,33-,34-/m0/s1 |
| InChIKey | FQQWEARKCCFNSI-DYTOPAQESA-N |
| Literature Reference Author | L.ZHU,P.S.LUKEMAN,J.W.CANARY,N.C.SEEMAN |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,10178(2003) |
| Literature Reference DOI | 10.1021/ja035186r |
| Molecular Weight | 868.845 g/mol |
| Sample ID | 35124 |
| Solvent | CDCl3 |