CAS号:22255-22-7-白藜芦醇三甲醚 - (E)-3,5,4'-Trimethoxystilbene-科华智慧

1. 主信息

英文名:	(E)-3,5,4'-Trimethoxystilbene
中文名:	白藜芦醇三甲醚
CAS编号:	22255-22-7
化学分子式：	C₁₇H₁₈O₃
化学分子量：	270.32 g/mol
SMILES：	COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	3,4',5-tri-O-methylresveratrol 3,4',5-trimethoxy-trans-stilbene 3,4',5-trimethoxystilbene 3,5,4'-tri-O-methyl-resveratrol 3,5,4'-tri-O-methylresveratrol

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	72	2-8℃	现货	-
科华智慧	1g	98%	54	2-8℃	现货	-
科华智慧	5g	98%	172	2-8℃	现货	-
科华智慧	25g	98%	544	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 38 39 0 0 0 0 0 0 0999 V2000 -4.7248 -2.2186 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 2.4709 0.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3095 -0.5753 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -0.3353 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 0.1019 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 0.9651 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -1.4084 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.5821 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -1.1746 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 1.1989 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 0.3400 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 0.1290 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -0.9779 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 0.9543 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 -0.3532 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -1.2054 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 0.7266 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 -1.9078 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 3.5174 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 0.3345 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 1.7760 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1161 -2.4280 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 -1.6041 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 1.3463 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 0.3753 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 -1.6551 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7463 1.8003 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -2.0451 1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1142 1.4268 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6548 -2.8549 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3593 -1.2993 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4626 -1.4493 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4366 3.4347 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5423 4.4601 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 3.5768 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0763 1.3504 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9869 0.2993 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 0.0077 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 9 2 0 0 0 0 7 22 1 0 0 0 0 8 11 2 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

4.2 InChl

InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+

4.3 InChlKey

GDHNBPHYVRHYCC-SNAWJCMRSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC

4.5 lsomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -5.19615 4 0 0
M  V30 2 O -5.19615 3 0 0
M  V30 3 C -4.33013 2.5 0 0
M  V30 4 C -3.4641 3 0 0
M  V30 5 C -2.59808 2.5 0 0
M  V30 6 C -2.59808 1.5 0 0
M  V30 7 C -3.4641 1 0 0
M  V30 8 C -4.33013 1.5 0 0
M  V30 9 C -1.73205 1 0 0
M  V30 10 C -0.866025 1.5 0 0
M  V30 11 C 2.4037e-16 1 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 C 1.73205 1 0 0
M  V30 14 C 1.73205 4.71845e-16 0 0
M  V30 15 C 0.866025 -0.5 0 0
M  V30 16 C 0 -0 0 0
M  V30 17 O 0.866025 -1.5 0 0
M  V30 18 C 1.73205 -2 0 0
M  V30 19 O 2.59808 1.5 0 0
M  V30 20 C 3.4641 1 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 9
M  V30 9 2 7 8
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 1 11 16
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 2 13 14
M  V30 16 1 13 19
M  V30 17 1 14 15
M  V30 18 2 15 16
M  V30 19 1 15 17
M  V30 20 1 17 18
M  V30 21 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型