3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
30 32 0 0 0 0 0 0 0999 V2000
1.1009 -1.4558 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5872 -2.5496 0.2473 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1214 2.0029 0.2634 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6605 -0.6984 0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 0.6494 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6967 0.7250 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0355 -0.7065 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1506 -0.5903 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 -1.2098 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7810 1.5785 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 1.1021 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3656 -0.2681 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 1.7607 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4950 -0.9532 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0066 1.4266 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4204 0.0926 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 -3.3181 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6707 2.4120 -0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5809 2.6460 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 2.8028 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 -1.9903 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7493 2.2188 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4818 -0.1374 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6611 -1.6714 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 -4.2287 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 -3.6083 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 -2.7718 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0800 1.5536 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9100 2.9120 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 3.1193 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 9 1 0 0 0 0
2 17 1 0 0 0 0
3 11 1 0 0 0 0
3 18 1 0 0 0 0
4 12 1 0 0 0 0
4 24 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 2 0 0 0 0
6 8 1 0 0 0 0
6 13 2 0 0 0 0
7 9 2 0 0 0 0
8 14 2 0 0 0 0
9 12 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 0 0 0 0
11 12 2 0 0 0 0
13 15 1 0 0 0 0
13 20 1 0 0 0 0
14 16 1 0 0 0 0
14 21 1 0 0 0 0
15 16 2 0 0 0 0
15 22 1 0 0 0 0
16 23 1 0 0 0 0
17 25 1 0 0 0 0
17 26 1 0 0 0 0
17 27 1 0 0 0 0
18 28 1 0 0 0 0
18 29 1 0 0 0 0
18 30 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
2,4-dimethoxydibenzofuran-3-ol
4.2 InChl
InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3
4.3 InChlKey
IPAVEOUAXMIIKX-UHFFFAOYSA-N
4.4 Canonical SMILES
COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O
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 |
| 枇杷叶 |
Loquat Leaf |
Folium Eriobotryae |
7. 相关靶点
8. 相关疾病
