Table 1.
position | ppmd | multe | spin system | J [Hz] (→ H)f | |
---|---|---|---|---|---|
1a | α | 7.7879 | d | ABMM’XX’ | 15.53 (Hβ) |
β | 7.6649 | dtt | ABMM’XX’ | 15.53 (Hα), 0.52 (H2,6), 0.34 (H3,5) | |
2,6 | 7.4946 | dddd | ABMM’XX’ | 8.51 (ortho), 2.61 (meta), 0.52 (Hβ), 0.34 (para) | |
3,5 | 6.8232 | dddd | ABMM’XX’ | 8.51 (ortho), 2.34 (meta), 0.34 (para), 0.34 (Hβ) | |
5’ | 6.0146 | s | - | - | |
1″-CH2 | 3.2244 | dqq | AM2X3Y3 | 7.21 (H2″), 1.15 (Me-5″), 0.49 (Me-4″) | |
2″ | 5.1967 | tqq | AM2X3Y3 | 7.21 (CH2-1″), 1.40 (Me-4″), 1.36 (Me-5″) | |
4″-Me | 1.7562 | dtq | AM2X3Y3 | 1.40 (H2″), 0.49 (CH2-1″), 0.36 (Me-5″) | |
5″-Me | 1.6494 | dtq | AM2X3Y3 | 1.36 (H2″), 1.15 (CH2-1″), 0.36 (Me-4″) | |
6’-OMe | 3.8950 | s | - | - | |
5b | α | 7.8031 | d | ABMM’XX’ | 15.54 (Hβ) |
β | 7.6742 | dtt | ABMM’XX’ | 15.54 (Hα), 0.45 (H2,6), 0.22 (H3,5) | |
2,6 | 7.5040 | dddd | ABMM’XX’ | 8.53 (ortho), 2.57 (meta), 0.45 (Hβ), 0.25 (para) | |
3,5 | 6.8261 | dddd | ABMM’XX’ | 8.53 (ortho), 2.53 (meta), 0.25 (para), 0.22 (Hβ) | |
5’ | 6.0259 | s | - | - | |
1″-CH2 | 2.6196 | ddd | AA’MM’ | 16.00 (gem.), 11.79 (trans), 4.88 (gauche) | |
2″-CH2 | 1.6375 | ddd | AA’MM’ | 16.00 (gem.), 11.79 trans), 4.88 (gauche) | |
4″,5″-Me | 1.1719 | s | - | - | |
6’-OMe | 3.9064 | s | - | - | |
10c | α | 7.8145 | d | ABMM’XX’ | 15.53 (Hβ) |
β | 7.7030 | dtt | ABMM’XX’ | 15.53 (Hα), 0.59 (H2,6), 0.46 (H3,5) | |
2,6 | 7.5067 | dddd | ABMM’XX’ | 8.46 (ortho), 2.54 (meta), 0.59 (Hβ), 0.37 (para) | |
3,5 | 6.8271 | dddd | ABMM’XX’ | 8.46 (ortho), 2.12 (meta), 0.46 (Hβ), 0.37 (para) | |
5’ | 5.9896 | s | - | - | |
1″-a | 2.8433 | dd | AMX | 16.81 (H1″b), 5.34 (H2″) | |
1″-b | 2.5237 | dd | AMX | 16.81 (H1″a), 6.95 (H2″) | |
2″ | 3.7648 | dd | AMX | 6.95 (H1″b), 5.34 (H2″) | |
4″-Me | 1.3469 | s | - | - | |
5″-Me | 1.2939 | s | - | - | |
6’-OMe | 3.9024 | s | - | - |
500 MHz spectrum with digital resolution (DR) = 0.084 Hz (0.00017 ppm).
360 MHz spectrum with DR = 0.09 Hz (0.00025 ppm).
300 MHz spectrum with DR = 0.055 Hz (0.00018 ppm).
Coupling constants and chemical shifts were precisely determined by PERCH analysis and are reported to 0.01 Hz precision. The digit shown in smaller font is not precisely certain, but is necessary to fully convey the experimentally observed spin system.
Multiplicity given under first order spin approximation.
Coupling constants and chemical shifts were precisely determined by PERCH analysis and are reported to 0.01 Hz precision. The digit shown in smaller font is not precisely certain, but is necessary to fully convey the experimentally observed spin system.