CAS号:42438-89-1-松茋 - 3-Methoxy-4',5-dihydroxy-trans-stilbene-科华智慧

1. 主信息

英文名:	3-Methoxy-4',5-dihydroxy-trans-stilbene
中文名:	松茋
CAS编号:	42438-89-1
化学分子式：	C₁₅H₁₄O₃
化学分子量：	242.27 g/mol
SMILES：	COC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)O
来源：	剑叶龙血树
结构类型：	二苯乙烯类
其它名称或标识：	3,4'-dihydroxy-5-methoxystilbene pinostilbene

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	576	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 -4.6960 -1.6769 -0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 2.9596 0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -0.5982 0.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 0.0432 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 0.2886 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4183 -0.9828 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 -0.2773 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 1.3639 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 -0.6799 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 0.5997 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 1.6668 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2018 0.6449 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -0.8269 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2782 1.1065 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 -1.1246 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 0.8088 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 -0.3067 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 -3.0086 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 -1.9956 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -1.3154 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 2.1843 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 1.6241 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2643 0.8739 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 -1.4799 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.9796 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -1.9939 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.4492 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 2.9850 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 -3.6715 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 -3.3140 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 -3.1389 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5403 -1.4021 0.6058 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 11 1 0 0 0 0 2 28 1 0 0 0 0 3 17 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol

4.2 InChl

InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+

4.3 InChlKey

KUWZXOMQXYWKBS-NSCUHMNNSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

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

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -6.06218 1.5 0 0
M  V30 2 O -6.06218 0.5 0 0
M  V30 3 C -5.19615 5.27356e-16 0 0
M  V30 4 C -4.33013 0.5 0 0
M  V30 5 C -3.4641 5.55112e-17 0 0
M  V30 6 C -3.4641 -1 0 0
M  V30 7 C -4.33013 -1.5 0 0
M  V30 8 C -5.19615 -1 0 0
M  V30 9 O -4.33013 -2.5 0 0
M  V30 10 C -2.59808 0.5 0 0
M  V30 11 C -1.73205 2.498e-16 0 0
M  V30 12 C -0.866025 0.5 0 0
M  V30 13 C -0.866025 1.5 0 0
M  V30 14 C -2.49508e-15 2 0 0
M  V30 15 C 0.866025 1.5 0 0
M  V30 16 C 0.866025 0.5 0 0
M  V30 17 C 0 -0 0 0
M  V30 18 O 1.73205 2 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 5 10
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 9
M  V30 11 2 10 11
M  V30 12 1 11 12
M  V30 13 1 12 17
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 1 15 18
M  V30 19 2 16 17
M  V30 END BOND
M  V30 END CTAB
M  END

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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

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型