CAS号:14113-05-4-王浆酸 - 10-Hydroxy-2-decenoic acid-科华智慧

1. 主信息

英文名:	10-Hydroxy-2-decenoic acid
中文名:	王浆酸
CAS编号:	14113-05-4
化学分子式：	C₁₀H₁₈O₃
化学分子量：	186.25 g/mol
SMILES：	C(CCCC=CC(=O)O)CCCO
来源：	-
结构类型：	脂肪族化合物
其它名称或标识：	10-HDEC 10-hydroxy-2-decenoic acid 10-hydroxy-2-decenoic acid, (E)-isomer 10-hydroxy-2-decenoic acid, monopotassium salt 10-hydroxy-2-decenoic acid, monosodium salt

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	GC≥98%	240	点击购买	2-8℃	现货	-
科华智慧	1g	≥97%	19	点击购买	2-8℃	现货	-
科华智慧	5g	≥97%	67	点击购买	2-8℃	现货	-
科华智慧	25g	≥97%	268	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 31 30 0 0 0 0 0 0 0999 V2000 -6.3077 -1.1862 0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -1.9141 -0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.5133 1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 1.1022 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 1.0365 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -0.0680 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 2.1643 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -0.0870 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 2.0950 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9897 -1.2835 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 0.8578 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -0.0031 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -1.2007 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 1.1109 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 2.0456 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 1.0723 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 0.0666 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -0.0602 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -1.0068 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 2.1705 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 3.1256 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.8389 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -0.0752 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 2.1706 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.9674 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 -2.2214 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 -1.3143 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 0.6884 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7017 -0.3672 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.1521 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -2.7261 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(E)-10-hydroxydec-2-enoic acid

4.2 InChl

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+

4.3 InChlKey

QHBZHVUGQROELI-SOFGYWHQSA-N

4.4 Canonical SMILES

C(CCCC=CC(=O)O)CCCO

4.5 lsomeric SMILES

C(CCC/C=C/C(=O)O)CCCO

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 12 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.73205 3 0 0
M  V30 2 C -2.59808 3.5 0 0
M  V30 3 C -3.4641 3 0 0
M  V30 4 C -3.4641 2 0 0
M  V30 5 C -4.33013 1.5 0 0
M  V30 6 C -4.33013 0.5 0 0
M  V30 7 C -5.19615 8.88178e-16 0 0
M  V30 8 O -6.06218 0.5 0 0
M  V30 9 O -5.19615 -1 0 0
M  V30 10 C -1.73205 2 0 0
M  V30 11 C -0.866025 1.5 0 0
M  V30 12 C -0.866025 0.5 0 0
M  V30 13 O 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
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
蜂胶	Propolis	Apis mellifera ligustica

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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