CAS号:263368-91-8-4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone - 4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone-科华智慧

1. 主信息

英文名:	4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
中文名:	4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
CAS编号:	263368-91-8
化学分子式：	C₁₃H₁₄O₅
化学分子量：	250.25 g/mol
SMILES：	CC(=O)C1C2=C(C(=O)CC1(C)O)C(=CC(=C2)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%	4640	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 1 0 0 0 0 0999 V2000 -1.6599 -0.8777 2.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 -2.9520 -0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 0.8380 -1.9527 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 -2.1364 -0.5386 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 2.4172 0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -0.4920 0.7536 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2454 0.7903 0.3897 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6657 -1.6575 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 0.5303 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.7305 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 -0.2728 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -1.8691 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 1.4270 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 1.5857 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -0.9308 -0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 2.8191 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 1.3844 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 0.1268 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 1.4993 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -1.5279 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -2.5898 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 0.5412 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 -0.0379 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 -1.1654 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 2.5714 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -1.6866 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 2.8182 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 3.4988 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 3.1620 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -0.0290 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 -2.8316 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 3.2136 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 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 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one

4.2 InChl

InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m1/s1

4.3 InChlKey

QDNOAZOXGLUUEB-CHWSQXEVSA-N

4.4 Canonical SMILES

CC(=O)C1C2=C(C(=O)CC1(C)O)C(=CC(=C2)O)O

4.5 lsomeric SMILES

CC(=O)[C@@H]1C2=C(C(=O)C[C@@]1(C)O)C(=CC(=C2)O)O

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