CAS号:173992-05-7-5-Acetyl-6-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran - 5-Acetyl-6-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran-科华智慧

1. 主信息

英文名:	5-Acetyl-6-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran
中文名:	5-Acetyl-6-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran
CAS编号:	173992-05-7
化学分子式：	C₁₃H₁₄O₄
化学分子量：	234.25 g/mol
SMILES：	CC(=O)C1=C(C=C2C(=C1)C=C(O2)C(C)(C)O)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	5mg	HPLC≥98.5%	4320	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 31 32 0 0 0 0 0 0 0999 V2000 -1.5779 0.9895 -0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 0.5613 -1.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 2.0006 -0.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9665 -1.8916 -0.4274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -0.1199 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -0.1945 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 -0.6722 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 -1.2432 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.7016 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 0.7134 1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4243 -1.5022 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 -1.1639 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 1.6338 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -0.2503 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 1.1231 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.7640 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 0.0784 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -2.2925 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 0.2720 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3589 0.7841 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 1.7409 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1859 -2.0803 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1268 -2.0892 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5116 -1.3781 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -2.2325 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 2.6955 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.0516 -1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 0.6818 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 0.6961 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5748 -0.5977 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 2.9061 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 27 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-[6-hydroxy-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone

4.2 InChl

InChI=1S/C13H14O4/c1-7(14)9-4-8-5-12(13(2,3)16)17-11(8)6-10(9)15/h4-6,15-16H,1-3H3

4.3 InChlKey

KIMYVHHWVJXJAN-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=O)C1=C(C=C2C(=C1)C=C(O2)C(C)(C)O)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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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