CAS号:112-63-0-亚油酸甲酯 - Methyl linoleate-科华智慧

1. 主信息

英文名:	Methyl linoleate
中文名:	亚油酸甲酯
CAS编号:	112-63-0
化学分子式：	C₁₉H₃₄O₂
化学分子量：	294.5 g/mol
SMILES：	CCCCCC=CCC=CCCCCCCCC(=O)OC
来源：	构树
结构类型：	脂肪族化合物
其它名称或标识：	linoleic acid methyl ester methyl linoleate methyl linoleate, (E,E)-isomer methyl linoleate, (E,Z)-isomer methyl linoleate, (Z,E)-isomer

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	100mg	GC≥98%	72	点击购买	-20℃	现货	-
科华智慧	1ml	95%(GC)	48	点击购买	-20℃	现货	-
科华智慧	5ml	95%(GC)	80	点击购买	-20℃	现货	-
科华智慧	25ml	95%(GC)	320	点击购买	-20℃	现货	-
科华智慧	100ml	95%(GC)	1120	点击购买	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 55 54 0 0 0 0 0 0 0999 V2000 -4.7764 1.0256 -0.3235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -0.7470 -1.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -2.7032 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -2.1921 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 -1.5567 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -3.3460 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 -2.0750 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -2.8786 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -0.9543 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 2.5568 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 2.6758 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -2.2054 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 2.5631 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8252 2.7439 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -0.9635 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -0.0918 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -0.2462 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 2.4145 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 1.2316 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0204 2.9328 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 1.8159 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -3.4319 -0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -3.2255 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.6489 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 -1.4793 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 -0.8382 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -1.0223 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 -3.8929 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -4.0575 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4491 -2.8174 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -2.5875 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 -3.7589 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -2.2530 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -0.2231 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 -1.3622 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7121 3.3893 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 1.6325 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4995 1.8207 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 3.5764 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -2.7692 -1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 1.8092 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 3.5225 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 3.5748 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 1.8265 -0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9259 -0.5755 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 0.0078 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 -0.5821 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 3.3245 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 1.2247 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9109 3.8410 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 3.0227 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 2.0812 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 2.8008 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 1.3529 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 1.9401 -1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 17 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 20 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

methyl (9Z,12Z)-octadeca-9,12-dienoate

4.2 InChl

InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

4.3 InChlKey

WTTJVINHCBCLGX-NQLNTKRDSA-N

4.4 Canonical SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC

4.5 lsomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC

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
白芍	White peony root	Radix Paeoniae Alba
柏子仁	seed of Chinese Arborvitae	Semen Biotae
川楝子	Szechwan Chiberry Fruit	Fructus Meliae Toosendan
川乌	root of Common Monkshood	Radix Aconiti
党参	root Pilose Asiabell	Radix Codonopsis pilosulae
木瓜	fruit of Common Floweringquince	Fructus Chaenomelis
桑白皮	Cortex Mori	-
西党	root Pilose Asiabell	Radix Codonopsis pilosulae
西秦艽	root of Largeleaf Gentian	Radix Gentianae macrophyllae
泽兰	Hirsute Shiny Bugleweed Herb	Herba Lycopi

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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