3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
33 32 0 0 0 0 0 0 0999 V2000
1.2310 0.4285 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 -0.3773 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4971 -0.4296 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2922 0.5269 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8220 0.3214 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5858 -0.2842 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0817 -0.5473 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8475 0.5766 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3700 0.2512 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1128 -0.2076 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1031 -0.2587 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2744 1.2001 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2180 0.9520 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -0.8956 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1062 -1.1465 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5112 -0.9504 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 -1.2094 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 1.2848 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2863 1.0588 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 0.8785 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8997 1.0712 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6043 -1.0590 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 -0.8069 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1124 -1.1249 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0296 -1.2716 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8489 1.0834 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8192 1.3634 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2355 -0.4185 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4726 0.9587 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3898 0.8154 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2289 -0.7501 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9974 -0.8382 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0412 0.2709 1.5680 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 12 1 0 0 0 0
1 13 1 0 0 0 0
2 4 1 0 0 0 0
2 14 1 0 0 0 0
2 15 1 0 0 0 0
3 5 1 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
4 6 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 9 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 2 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
undec-1-ene
4.2 InChl
InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
4.3 InChlKey
DCTOHCCUXLBQMS-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCC=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 |
| 白芍 |
White peony root |
Radix Paeoniae Alba |
| 白芷 |
Dahurian Angelica Root |
Radix Angelicae Dahuricae |
| 臭草 |
Common Rue |
Ruta graveolens |
| 独活 |
Doubleteeth Pubescent Angelica Root |
Radix Angelicae Pubescentis |
| 鸡矢藤 |
Paederiae Scandentis Herba |
- |
| 锦灯笼 |
Calyx Seu Fructus Physalis |
- |
| 金钱草 |
Christi Loosestrife |
Herba Glechomae Longitubae |
| 款冬花 |
flower bud of common coltsfoot |
flos farfarae |
| 漏芦 |
Uniflower Swisscentaury Root |
Radix Rhapontici |
| 玫瑰花 |
Rose Flower |
Flos Rosae Rugosae |
7. 相关靶点
8. 相关疾病
