CAS号:112-80-1-油酸 - Oleic Acid-科华智慧

1. 主信息

英文名:	Oleic Acid
中文名:	油酸
CAS编号:	112-80-1
化学分子式：	C₁₈H₃₄O₂
化学分子量：	282.5 g/mol
SMILES：	CCCCCCCCC=CCCCCCCCC(=O)O
来源：	茶
结构类型：	脂肪族化合物
其它名称或标识：	9 Octadecenoic Acid 9-Octadecenoic Acid cis 9 Octadecenoic Acid cis-9-Octadecenoic Acid Oleate

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	0.1ml	GC≥98%	72	点击购买	2-8℃	现货	-
科华智慧	1ml	GC≥98%	256	点击购买	2-8℃	现货	-
科华智慧	500ml	AR	48	点击购买	2-8℃	现货	-
科华智慧	5ml	≥98%(GC)	232	点击购买	2-8℃	现货	-
科华智慧	25ml	≥98%(GC)	696	点击购买	2-8℃	现货	-
科华智慧	100ml	≥98%(GC)	1800	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 54 53 0 0 0 0 0 0 0999 V2000 7.2438 0.3284 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -0.1564 1.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -1.5706 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -1.3743 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 -2.3907 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.9226 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 1.3600 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -0.6197 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 1.9525 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 1.3590 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 -2.6942 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 0.7880 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 2.4841 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.8265 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -3.5599 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 1.7249 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 2.4473 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.7868 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -3.8707 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 0.2564 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.6036 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -2.0763 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -2.3555 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.8479 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -1.8633 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -3.3435 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 2.9375 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 1.3077 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.9612 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 0.3378 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 -0.5581 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -1.2134 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.5759 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 0.9403 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 2.3772 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.7391 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -3.1921 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -1.7440 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 1.2045 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 0.7258 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 1.9282 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 3.5260 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -0.1828 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.4521 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.0521 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.5038 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6389 1.8410 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7034 3.0866 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 0.1451 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 1.8000 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -2.9499 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.4899 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -4.4129 -1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0434 0.0024 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(Z)-octadec-9-enoic acid

4.2 InChl

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

4.3 InChlKey

ZQPPMHVWECSIRJ-KTKRTIGZSA-N

4.4 Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)O

4.5 lsomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=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
巴豆	Croton Fruit	Fructus Crotonis
巴戟天	Morindae Officilis Radix	-
白扁豆	White Hyacinth Bean	Semen Lablab Album
白附子	rhizome of Giant Typhonium	Rhizoma Typhonii
白鬼笔	Stinking Polecat, Wood Witch	Phallus impudicus
白果	Ginkgo seed	Semen Ginkgo
白木香	Chinese Eaglewood	Aquilaria sinensis
白苏梗	Caulis Perillae frutescentis	-
白苏叶	Common Perilla Leaf	Perilla frutescens
白苏子	Common Perilla Fruit	Perilla frutescens

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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