| SpectraBase Compound ID | IIbEGNjve33 |
|---|---|
| InChI | InChI=1S/C33H44N2O20.C2HF3O2/c34-15-4-2-1-3-14(15)30(46)53-29-22(41)21(40)18(10-36)50-33(29)55-28-20(12-38)52-32(26(45)24(28)43)54-27-19(11-37)51-31(25(44)23(27)42)49-8-7-13-5-6-17(39)16(9-13)35(47)48;3-2(4,5)1(6)7/h1-6,9,18-29,31-33,36-45H,7-8,10-12,34H2;(H,6,7)/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,31-,32-,33-;/m1./s1 |
| InChIKey | RKXUGKAVOOGYCW-JPBDGJNESA-N |
| Mol Weight | 902.7 g/mol |
| Molecular Formula | C35H45F3N2O22 |
| Exact Mass | 902.241606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FPBGTaYNnk |
|---|---|
| Compound Number | 27 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C33H44N2O20.C2HF3O2/c34-15-4-2-1-3-14(15)30(46)53-29-22(41)21(40)18(10-36)50-33(29)55-28-20(12-38)52-32(26(45)24(28)43)54-27-19(11-37)51-31(25(44)23(27)42)49-8-7-13-5-6-17(39)16(9-13)35(47)48;3-2(4,5)1(6)7/h1-6,9,18-29,31-33,36-45H,7-8,10-12,34H2;(H,6,7)/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,31-,32-,33-;/m1./s1 |
| InChIKey | RKXUGKAVOOGYCW-JPBDGJNESA-N |
| Literature Reference | J.CHEM.SOC.PERKIN-1,2169(1994) V.FERRO,M.MELDAL,K.BOCK |
| Solvent | Deuterium oxide |