3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
62 61 0 1 0 0 0 0 0999 V2000
-1.9064 1.7990 -0.7048 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3281 -1.1548 -1.1277 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3685 1.7011 -0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 0.2213 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 0.2978 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6175 0.8398 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8672 -1.0679 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1423 0.8080 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7778 -0.2146 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6028 -0.6705 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3145 -0.2817 0.9544 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3287 3.2564 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 -2.2359 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1123 -0.5556 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9486 -0.1062 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8436 -0.5477 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8550 -1.3136 1.9507 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5337 1.2716 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4507 -0.1411 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4805 -1.9054 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1834 1.5184 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9579 -1.4541 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 2.4022 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0579 2.0196 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0264 0.5339 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1233 0.9637 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 -0.4021 -0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1564 -0.0416 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 1.1114 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 -0.1834 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2485 -2.0394 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1164 -0.3491 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5702 1.7944 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3695 0.5581 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3494 -1.2055 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5044 0.0411 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2195 0.2905 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4218 -1.4090 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7071 0.6983 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 3.9282 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3895 3.4030 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1494 3.5690 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4837 -1.5312 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2873 0.1455 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 -3.1760 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8218 -2.4426 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0922 -1.9379 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7623 -0.8242 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5136 0.2418 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9390 -0.4737 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4312 -2.3081 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6044 -1.0218 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9455 -1.3875 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5099 1.2658 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1829 1.5900 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5990 2.0258 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7627 -1.1418 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0241 0.1201 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7185 0.5645 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3965 -2.0375 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8993 -2.7258 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8836 -1.9917 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 6 1 0 0 0 0
1 12 1 0 0 0 0
1 21 1 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 13 1 0 0 0 0
2 22 1 0 0 0 0
3 5 1 0 0 0 0
3 23 1 0 0 0 0
3 24 1 0 0 0 0
4 5 1 0 0 0 0
4 25 1 0 0 0 0
4 26 1 0 0 0 0
5 27 1 0 0 0 0
5 28 1 0 0 0 0
6 8 1 0 0 0 0
6 29 1 0 0 0 0
6 30 1 0 0 0 0
7 10 1 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 9 1 0 0 0 0
8 33 1 0 0 0 0
8 34 1 0 0 0 0
9 11 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 14 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 16 1 0 0 0 0
11 17 1 0 0 0 0
11 39 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
13 47 1 0 0 0 0
14 15 1 0 0 0 0
14 43 1 0 0 0 0
14 44 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
15 48 1 0 0 0 0
16 20 1 0 0 0 0
16 49 1 0 0 0 0
16 50 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
17 53 1 0 0 0 0
18 54 1 0 0 0 0
18 55 1 0 0 0 0
18 56 1 0 0 0 0
19 57 1 0 0 0 0
19 58 1 0 0 0 0
19 59 1 0 0 0 0
20 60 1 0 0 0 0
20 61 1 0 0 0 0
20 62 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
2,6,10,14-tetramethylhexadecane
4.2 InChl
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
4.3 InChlKey
GGYKPYDKXLHNTI-UHFFFAOYSA-N
4.4 Canonical SMILES
CCC(C)CCCC(C)CCCC(C)CCCC(C)C
4.5 lsomeric SMILES
-
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
| 中文名称 |
英文名称 |
拉丁文名称 |
| 巴戟天 |
Morindae Officilis Radix |
- |
| 白附子 |
rhizome of Giant Typhonium |
Rhizoma Typhonii |
| 白芷 |
Dahurian Angelica Root |
Radix Angelicae Dahuricae |
| 半枝莲 |
all - grass of Barbed Skullcap |
Herba Scutellariae barbatae |
| 川乌 |
root of Common Monkshood |
Radix Aconiti |
| 葱 |
Allium bulb, Wild scallion, Chinese green onion |
Bulbus Allii Fistulosi |
| 大花红景天 |
Bigflower Rhodiola |
Rhodiola crenulata [Syn. Rhodiola euryphylla] |
| 党参 |
root Pilose Asiabell |
Radix Codonopsis pilosulae |
| 功劳木 |
Stem of Leatherleaf Mahonia |
Caulis Mahoniae |
| 枸杞子 |
fruit of Chinese Wolfberry |
Fructus Lycii |
7. 相关靶点
8. 相关疾病
