miêu tả các loai phổ như: DEPT135, DEPT 90, EIMS, HREI MS, 1H NMR, HSQC, 13CNMR, HMBC hình ảnh cụ thể, thông tin về phổ , phân tích phổ đồ. cách giải phổ đồ với số liệu, cách đọc thông tinh trên phổ đồ, sự khác nhau giữa các loại phổ, so sánh với nhau
1 Supporting Information Rec. Nat. Prod. 7:4 (2013) 302-306 Ixorene, a new Dammarane Triterpene from the Leaves of Ixora coccinea Linn. Ambreen Ikram 1 , Muhammad Ali Versiani 1,* , Shumaila Shamshad 1 , Salman Khalid Ahmed 1 , Syed Tahir Ali 1 and Shaheen Faizi 2 1 Department of Chemistry, Federal Urdu University of Arts, Sciences and Technology, Gulshan-e Iqbal, Science Campus, Karachi-75300, Pakistan 2 International Center for Chemical and Biological Sciences, HEJ Research Institute of Chemistry, University of Karachi, Karachi-75270, Pakistan Table of Contents Page S1: EI-MS Spectrum of Compound 1 (ixorene) 2 S2: HREI-MS Spectrum of Compound 1 (ixorene) 3 S3: 1 H-NMR (500 MHz, CDCl 3 ) Spectrum of Compound 1 (ixorene) 4 S4: Expansion of 1 H-NMR Spectrum of Compound 1 (ixorene) (From 4.5 to 5.4 ppm) 5 S5: Expansion of 1 H-NMR Spectrum of Compound 1 (ixorene) 6 S6: 13 C-NMR (125 MHz, CDCl 3 ) Spectrum of Compound 1 (ixorene) 7 S7: DEPT -135 Spectrum of Compound 1(ixorene) (From 50 to 120 ppm) 8 S8: DEPT -90 Spectrum of Compound 1 (ixorene) (From 50 to 120 ppm) 9 S9: COSY Spectrum of Compound 1 (ixorene) 10 S10: HSQC (500 MHz) Spectrum of Compound 1 (ixorene) (From 50 to 125 ppm) 11 S11: HMBC Spectrum of Compound 1 (ixorene) 12 2 S1: EI-MS Spectrum of Compound 1 (ixorene) 3 S2: HREI-MS Spectrum of Compound 1 (ixorene) 4 S3: 1 H-NMR (500 MHz, CDCl 3 ) Spectrum of Compound 1 (ixorene) 17β-dammara-12,20-diene-3β-ol (I). Yellow solid, [] D 24 : +57.6 (c 0.0052, CDCl 3 ) 1 H-NMR (CDCl 3 , 500 MHz), δ: δ: 5.39 (1H,td, H-12), 4.69 (1H, d, H-21a), 4.54 (1H, d, H-21b), 3.16 (1H, dd, H-3), 2.35 (1H, m, H-17), 1.01 (6H, s, H-19/H-30), 0.94 (3H, s, H-28), 0.92 (3H, s, H-18), 0.85 (3H, d, H-26), 0.82 (3H, d, H-27), 0.75 (3H, s, H-29). 13 C-NMR (CDCl 3 , 125 MHz), δ: 150.97 (C-20), 140.31 (C-13), 123.15 (C-12), 109.31 (C-21), 79.03 (C-3), 48.01 (C-17), 27.99 (C- 28), 22.70 (C-26), 19.75(C-27), 18.02 (C-29), 16.01 (C-30), 14.57 (C-18), 15.37 (C-19). UV λ max (MeOH) nm (log 10 Ɛ): 230(4.0), 244(4.1). IR v max (KBr) cm –1 : 3406, 2927, 2857, 1675, 1550, 1463, 1380, 915. HR EIMS m/z (rel. intensity, %): 426.3864 (M + , calcd. for C 30 H 50 O, 426.3862, 8), 408.3780 (M + , -H 2 O, calcd. for C 30 H 48 , 408.3756, 61), 394.3582 (M + –CH 3, -OH, calcd. for C 29 H 46 , 394.3600, 10), 207.1774 (calcd. for C 14 H 23 O, 207.1749, 90), 190.1775 (calcd. for , C 14 H 22 , 190.1772, 32), 189.1657 (calcd. for C 14 H 21 , 189.1643, 100). EIMS m/z (rel. intensity, %): 426 (M+, C 30 H 50 O, 79), 218 (C 16 H 26 , 58), 207 (C 14 H 23 O, 90), 189 (C 14 H 21 , 100), 147 (C 11 H 15 , 36), 133 (C 10 H 13 , 32), 107 (C 8 H 11 , 51), 71(C 5 H 11 ,10). 5 S4: Expansion of 1 H-NMR Spectrum of Compound 1 (ixorene) (From 4.5 to 5.4 ppm) 6 S5: Expansion of 1 H-NMR Spectrum of Compound 1 (ixorene) 7 S6: 13 C-NMR (125 MHz, CDCl 3 ) Spectrum of Compound 1 (ixorene) 8 HO 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 29 30 28 H A B D 5 C-12 C-3 C-21 S7: DEPT -135 Spectrum of Compound 1 (ixorene) (From 50 to 120 ppm) 9 S8: DEPT -90 Spectrum of Compound 1 (ixorene) (From 50 to 120 ppm) 10 S9: COSY Spectrum of Compound 1 (ixorene)