3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
40 40 0 0 0 0 0 0 0999 V2000
-1.5732 -1.5930 -0.0113 Si 0 0 0 0 0 0 0 0 0 0 0 0
-1.5932 1.5733 0.0115 Si 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -1.5732 0.0113 Si 0 0 0 0 0 0 0 0 0 0 0 0
1.5734 1.5933 -0.0110 Si 0 0 0 0 0 0 0 0 0 0 0 0
-1.7961 -0.0150 0.5066 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0150 -1.7965 -0.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0149 1.7970 -0.5053 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7967 0.0150 0.5064 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7361 -1.9831 -1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9787 -2.7825 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9854 2.7360 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7816 1.9771 -1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9840 -2.7363 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7824 -1.9782 -1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9793 2.7824 1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7351 1.9837 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7767 -1.8258 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 -1.3400 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6208 -3.0244 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3507 -2.5792 2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0256 -2.6789 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 -3.8169 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0268 2.6196 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3425 2.5231 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8293 3.7768 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8162 1.8072 -1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 3.0241 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5768 1.3493 -2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 -2.5228 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 -3.7770 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0253 -2.6208 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5787 -1.3501 -2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8169 -1.8091 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6791 -3.0251 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3516 2.5791 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0264 2.6789 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8105 3.8169 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5205 1.3405 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 3.0249 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7761 1.8265 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 5 1 0 0 0 0
2 7 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 15 1 0 0 0 0
4 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
11 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
4.2 InChl
InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
4.3 InChlKey
HMMGMWAXVFQUOA-UHFFFAOYSA-N
4.4 Canonical SMILES
C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)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
7. 相关靶点
8. 相关疾病
