CDCL3

AcronymDefinition
CDCL3Deuterated Chloroform
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Molecular formula: [C22H22Cl4CdF2N2O2], Light yellow Solid, Yield: 47%, M.p: Decomposed 240-244AdegC, Molecular weight: 638.64 g/mole, IR (cm-1): 3130 (NH), 1581 (C=O conjugated), 1533 (C=C stretching); 450(Cd-N stretching), 527(Cd-O stretching),1H NMR (300 MHz, CDCl3, I' ppm): 12.64 (s, 1H, -NH ), 7.32-7.21 (m, 4H, - Ar-H), 2.26(s, 3H), 2.12(s, 3H).Anal.
[sup.1]H NMR (600 MHz, CDCl3): [delta] 4.43 (dd, J = 11.2, 3.0 Hz, 1H), 4.30 (dd, J = 11.2, 5.3 Hz, 1H), 4.28-4.24 (m, 2H), 4.10 (t, J = 7.7 Hz, 1H), 4.01 (dd, J = 8.1, 3.9 Hz, 1H), 3.93 (t, J = 7.6 Hz, 1H), 3.10 (s, 3H), 1.46 (s, 3H), 1.45 (s, 6H), 1.39 (s, 3H).
Compound 24 yield: 55%; 1H NMR (500 MHz, CDCl3) 8 8.28 (s, 1 H), 8.03 (s, 1 H), 7.98 (s, 1 H), 7.80-7.78 (m, 2 H), 7.17 (t, J = 8.25 Hz, 2 H), 5.19 (s, 2 H), 3.83 (s, 3 H) ppm; [sup.13]CNMR (125 MHz, CDCl3) d 167.1,164.8,162.8,152.1,144.5, 132.1, 130.1, 125.2, 116.4, 116.3, 52.8, 46.2 ppm; Anal.
[sup.1]H-NMR (CDCl3): 5.76 (m, 1H, CH=[sub.allyl]), 5.2-5.6 (m, 2H, =C[H.sub.2 allyl]), 3.6-4 (m, 2H, C[H.sub.2 allyl]).
1H NMR(CDCl3, [delta], ppm): 8.033-8.061(m, 2H), 7.615-7.651(t, 2H), 7.379-7.432(q, 4H), 7.039-7.060(d, 2H), 6.634-6.655(d, 2H), 6.048(s, 1H), 3.324-3.376(q, 4H), 1.145-1.180(t, 6H).
45-46AdegC); IR (max, cm-1) KBr disc: 2951 (=C-H), 1694 (C=O), 685 (C-Br); 1H NMR (500 MHz, CDCl3, I' in ppm): 4.46 (2H, s, CH2), 7.49 (2H, t, J = 7.4 Hz, H3'), 7.61 (1H, dd, J = 7.4,1.5 Hz, H4'), 7.98 (2H, dd, J = 7.4, 1.5 Hz, H2'); 13C NMR(75 MHz): I' (ppm)30.9 (CH2), 128.8 (2x, d, C3'),, 128.9 (d, C4'), 133.9 (2x, d, C2'), 134.0 (s, C1'), 191.2 (s, C1); Mass 198, 200 [M]+.
NMR spectra were recorded on a Bruker PX 300 spectrometer and the substances were solubilized in CDCl3 or DMSO-[d.sub.6].
Lupeol (3) (11 mg 0.24% yield): white amorphous powder; 1H NMR (400 MHz CDCl3): A 1.60 (1H m H- 2a) 1.55 (1H m H-2b) 3.20 (H-3 dd J=11.3 Hz 4.8 Hz) 1.65 (1H m H-13) 0.90 (1H m H-18) 2.20 (H- 19 m) 1.92 (1H m H-21) 0.96 (3H s Me-23) 0.75 (3H s Me-24) 0.82 (3H s Me-25) 1.02 (3H s Me- 26) 0.94 (3H s Me-27) 0.78 (3H s Me-28) 4.68 (Hb- 29 br.s) 4.56 (Ha-29 br.s) 1.67 (3H s Me-30).
Espectros de 'H-RMN en CDCl3 del aceite de coco y de diferentes reacciones de transesterificacion.
Compound Comparative Overall content Retention content (a) in the leave time (min) extract (b) (c) Erythrodiol 3% < 0.1% 13 Uvaol 14% 0.3% 14 Oleanolic aldehyde 4% < 0.1% 16 Unknown 3% < 0.1% 24 [alpha]-amyrin 12% 0.3% 27 [beta]-amyrin 47% 1.0% 28 [beta]-sitosterol 17% 0.4% 29 (a) Molar ratio in the phytosterol fraction, (b) weight ratio in the extract sample, and (c) Isocratic method (CDCl3 : acetonitrile, 25:75).
1H NMR (300 MHz, CDCl3, 25[degrees]C): S = 1.55 and 2.35 (d, 2H + 2H, 7 = 8 Hz, CH2CH2), 4.97 (bs, 1H, CHN), 5.55 (s, 1H, CH-O), 6.59 (s, 2H, CH=CH), 735, 776, 788 and 8.62 (m, 4H, 2-Py).