CAS号:70131-50-9-活性漂土 - 3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one;4-ethyl-2-methyl-2-(2-methylbuta-1,3-dienyl)-5-methylidenethiophen-3-ol;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[4-(4-methylphenyl)butyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[2-(4-methylphenyl)ethyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-propylthiophen-2-one-科华智慧

1. 主信息

英文名:	3-Butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one;4-ethyl-2-methyl-2-(2-methylbuta-1,3-dienyl)-5-methylidenethiophen-3-ol;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[4-(4-methylphenyl)butyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[2-(4-methylphenyl)ethyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-propylthiophen-2-one
中文名:	活性漂土
CAS编号:	70131-50-9
化学分子式：	C₁₆₂H₂₀₄O₁₇S₉
化学分子量：	g/mol
SMILES：	CCCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCC1=C(C(SC1=C)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

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	100g	Activity>100mol/kg	120	2-8℃	现货	-
科华智慧	500g	Activity>100mol/kg	280	2-8℃	现货	-
科华智慧	100g	Activity>180mol/kg	28	2-8℃	现货	-
科华智慧	500g	Activity>180mol/kg	54	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

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4. 国际命名与标识

4.1 IUPAC Name

3-butyl-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)thiophen-2-one;4-ethyl-2-methyl-2-(2-methylbuta-1,3-dienyl)-5-methylidenethiophen-3-ol;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[4-(4-methylphenyl)butyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-[2-(4-methylphenyl)ethyl]thiophen-2-one;4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dienyl)-3-propylthiophen-2-one

4.2 InChl

InChI=1S/4C21H26O2S.2C19H22O2S.C14H20O2S.C13H18O2S.C13H18OS/c4*1-5-15(2)14-21(4)19(22)18(20(23)24-21)9-7-6-8-17-12-10-16(3)11-13-17;2*1-5-13(2)12-19(4)17(20)16(18(21)22-19)11-10-15-8-6-14(3)7-9-15;1-5-7-8-11-12(15)14(4,17-13(11)16)9-10(3)6-2;1-5-7-10-11(14)13(4,16-12(10)15)8-9(3)6-2;1-6-9(3)8-13(5)12(14)11(7-2)10(4)15-13/h4*5,10-14,22H,1,6-9H2,2-4H3;2*5-9,12,20H,1,10-11H2,2-4H3;6,9,15H,2,5,7-8H2,1,3-4H3;6,8,14H,2,5,7H2,1,3-4H3;6,8,14H,1,4,7H2,2-3,5H3

4.3 InChlKey

QZWDCJBBGBXHMW-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCCC1=C(C(SC1=O)(C)C=C(C)C=C)O.CCC1=C(C(SC1=C)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCCCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O.CC1=CC=C(C=C1)CCC2=C(C(SC2=O)(C)C=C(C)C=C)O

4.5 lsomeric SMILES

4.6 SDF文件

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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)

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5.4 红外光谱(IR)

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5.5 紫外/可见光谱(UV/Vis)

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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