3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
45 44 0 0 0 0 0 0 0999 V2000
8.8022 0.4015 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 -0.4432 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2640 0.3602 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 0.4292 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 -0.4609 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 -0.4239 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8237 0.3984 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8553 0.4027 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1143 -0.4188 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1250 -0.4538 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4118 0.3942 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4114 0.3717 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6711 -0.4707 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6783 -0.4693 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9281 0.3828 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0727 -1.1544 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 -1.0376 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2813 1.0854 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2533 0.9468 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2752 1.1255 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3077 1.0328 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5588 -1.0675 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5703 -1.1607 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5786 -1.1144 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5411 -1.0410 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8492 0.9744 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7858 1.1256 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8612 1.0569 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 1.0567 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0518 -1.0425 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1721 -1.1099 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0980 -1.1384 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1382 -1.0765 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4680 1.0429 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3736 1.0547 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3783 1.0424 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4694 1.0305 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6257 -1.1203 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7239 -1.1211 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6848 -1.0811 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7661 -1.1232 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0176 1.0225 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9191 1.0225 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8164 -0.2547 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5952 -0.1591 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 45 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 18 1 0 0 0 0
3 19 1 0 0 0 0
4 6 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 12 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 15 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 42 1 0 0 0 0
15 43 1 0 0 0 0
15 44 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
tetradecan-1-ol
4.2 InChl
InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
4.3 InChlKey
HLZKNKRTKFSKGZ-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCO
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 |
| 白芍 |
White peony root |
Radix Paeoniae Alba |
| 白芷 |
Dahurian Angelica Root |
Radix Angelicae Dahuricae |
| 川射干 |
Iridis Tectori Rhizoma |
- |
| 当归 |
root of Chinese Angelica |
Radix Angelicae sinensis |
| 地耳草 |
all - grass of Japanese St. Johnswort |
Herba Hyperici Japonici |
| 锦鸡儿根 |
Caragana sinica (Buchoz)Rehd. |
- |
| 苦楝子 |
Meliae Azedarach Fructus |
- |
| 辣椒 |
Hot pepper |
fructus Capsici |
| 没药 |
Myrrh |
Resi myrrhae;Myrrha |
| 牡荆子 |
Viticis Canbifoliae Fructus |
- |
7. 相关靶点
8. 相关疾病
