3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
36 35 0 0 0 0 0 0 0999 V2000
0.6162 -0.5245 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 0.3221 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.2754 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 -0.4667 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9087 -0.5627 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3921 0.3935 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2115 0.2000 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6889 -0.3408 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5002 -0.5686 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9383 0.5015 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7398 0.2458 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6350 0.5250 -0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 -1.4119 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5855 -0.8780 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9147 0.6612 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8208 1.2186 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6350 0.6134 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 1.1722 -0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2053 -1.3530 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0896 -0.8208 -1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8824 -1.4574 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9109 -0.9116 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 1.2900 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4428 0.7392 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2249 0.5133 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2014 1.1233 -0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7685 -1.2457 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6516 -0.6693 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5505 -1.4588 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4615 -0.9289 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9118 1.3983 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0291 0.8152 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8321 -0.0727 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9166 0.6177 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5151 1.1158 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5082 0.1737 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 4 1 0 0 0 0
2 15 1 0 0 0 0
2 16 1 0 0 0 0
3 5 1 0 0 0 0
3 17 1 0 0 0 0
3 18 1 0 0 0 0
4 6 1 0 0 0 0
4 19 1 0 0 0 0
4 20 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 34 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
dodec-1-ene
4.2 InChl
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
4.3 InChlKey
CRSBERNSMYQZNG-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCC=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 |
| 白芷 |
Dahurian Angelica Root |
Radix Angelicae Dahuricae |
| 川贝母 |
Bulb of Tendrilleaf Fritillary |
Bulbus Fritillariae Cirrhosae |
| 川射干 |
Iridis Tectori Rhizoma |
- |
| 茨菇 |
Oldworld Arrowhead Corm |
Sagittaria sagittifolia |
| 当归 |
root of Chinese Angelica |
Radix Angelicae sinensis |
| 金钱草 |
Christi Loosestrife |
Herba Glechomae Longitubae |
| 款冬花 |
flower bud of common coltsfoot |
flos farfarae |
| 零陵香 |
Lysimachiae Foenigraeci Herba |
- |
| 漏芦 |
Uniflower Swisscentaury Root |
Radix Rhapontici |
| 猫眼草 |
Lunulatae Herba |
- |
7. 相关靶点
8. 相关疾病
