3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
50 50 0 0 0 0 0 0 0999 V2000
-0.3231 2.2623 -0.7496 Si 0 0 0 0 0 0 0 0 0 0 0 0
-2.6489 0.5280 0.5393 Si 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 1.3227 0.5331 Si 0 0 0 0 0 0 0 0 0 0 0 0
-1.2442 -2.2102 -0.1532 Si 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 -1.6812 -0.3075 Si 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 1.4350 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2772 2.2521 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 -0.9920 -0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 -0.1585 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2418 -1.4773 -0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 1.4935 -2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9306 4.0400 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0718 0.3583 2.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0989 1.3758 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.2272 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 1.0833 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 -3.3699 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3391 -3.2121 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4439 -2.7116 1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4412 -2.5651 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1229 0.4569 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1363 2.0515 -3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5079 1.5077 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3251 4.5986 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 4.5413 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9729 4.0657 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9674 -0.2557 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2471 -0.1127 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2579 1.3409 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0154 0.7940 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2590 2.3733 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9148 1.4793 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4092 2.3975 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9917 3.1962 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8437 1.6390 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9841 0.5605 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6997 0.4953 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8469 2.0508 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8145 -4.1706 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5509 -3.8255 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5084 -2.8264 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3414 -3.6306 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6230 -4.0387 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 -2.5843 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 -3.7233 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5348 -2.7871 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1069 -2.2584 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9949 -3.5623 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1365 -2.0008 -2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5296 -2.6738 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 6 1 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
3 7 1 0 0 0 0
3 9 1 0 0 0 0
3 15 1 0 0 0 0
3 16 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
19 47 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
20 50 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
4.2 InChl
InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3
4.3 InChlKey
XMSXQFUHVRWGNA-UHFFFAOYSA-N
4.4 Canonical SMILES
C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(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
| 中文名称 |
英文名称 |
拉丁文名称 |
| 紫檀 |
Burmacoast Padauk |
Pterocarpus indicus |
7. 相关靶点
8. 相关疾病
