| SpectraBase Compound ID | 48m3Bnd1bUd |
|---|---|
| InChI | InChI=1S/C39H55N3O21.C2HF3O2/c1-16(2)11-20(41-35(53)18-5-3-4-6-19(18)40)36(54)61-34-27(48)26(47)23(13-43)58-39(34)63-33-25(15-45)60-38(31(52)29(33)50)62-32-24(14-44)59-37(30(51)28(32)49)57-10-9-17-7-8-22(46)21(12-17)42(55)56;3-2(4,5)1(6)7/h3-8,12,16,20,23-34,37-39,43-52H,9-11,13-15,40H2,1-2H3,(H,41,53);(H,6,7)/t20?,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,37-,38-,39-;/m1./s1 |
| InChIKey | OCTOYQACGZMKIH-FQFXKYGQSA-N |
| Mol Weight | 1015.9 g/mol |
| Molecular Formula | C41H56F3N3O23 |
| Exact Mass | 1015.32567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30QigfDSK3U |
|---|---|
| Compound Number | 23 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C39H55N3O21.C2HF3O2/c1-16(2)11-20(41-35(53)18-5-3-4-6-19(18)40)36(54)61-34-27(48)26(47)23(13-43)58-39(34)63-33-25(15-45)60-38(31(52)29(33)50)62-32-24(14-44)59-37(30(51)28(32)49)57-10-9-17-7-8-22(46)21(12-17)42(55)56;3-2(4,5)1(6)7/h3-8,12,16,20,23-34,37-39,43-52H,9-11,13-15,40H2,1-2H3,(H,41,53);(H,6,7)/t20?,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,37-,38-,39-;/m1./s1 |
| InChIKey | OCTOYQACGZMKIH-FQFXKYGQSA-N |
| Literature Reference | V.FERRO,M.MELDAL,K.BOCK J.CHEM.SOC.PERKIN-1,2169(1994) |
| Solvent | Deuterium oxide |