CAS号:112-79-8-反油酸 - Elaidic Acid-科华智慧

1. 主信息

英文名:	Elaidic Acid
中文名:	反油酸
CAS编号:	112-79-8
化学分子式：	C₁₈H₃₄O₂
化学分子量：	282.5 g/mol
SMILES：	CCCCCCCCC=CCCCCCCCC(=O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	elaidate elaidic acid elaidic acid, 1-(14)C-labeled, (E)-isomer elaidic acid, 10-(14)C-labeled, (E)-isomer elaidic acid, 14C-labeled, (E)-isomer

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	100mg	99%	448	−20℃	现货	-
科华智慧	1g	98%	152	−20℃	现货	-
科华智慧	5g	98%	520	−20℃	现货	-
科华智慧	25g	98%	1800	−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 54 53 0 0 0 0 0 0 0999 V2000 -6.3094 -0.9359 -1.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 0.3643 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -2.0952 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -1.2849 -1.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 -2.6456 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 2.1103 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 1.9513 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 -0.8007 -1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 2.9473 1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 1.0884 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -3.5378 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 0.0956 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 3.1547 0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 0.9035 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 -2.8676 2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0163 1.3813 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 1.8695 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 0.0679 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.6499 2.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -0.1167 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -1.4666 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 -2.9303 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -1.9056 -2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 -0.4298 -1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -1.8130 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -3.2385 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 1.1169 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 2.5887 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 1.4923 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 2.9389 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -0.2663 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -1.6752 -1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 2.4681 2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 3.9306 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 0.1067 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 1.5573 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -3.9271 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -4.4087 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 0.3483 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -0.4501 0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0751 3.8038 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 3.6823 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 1.8860 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 0.4242 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 -3.6036 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -2.5812 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 1.9806 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 1.2772 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 0.5542 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7669 -0.9241 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -1.8926 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -1.2857 3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -0.8311 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2374 -1.0852 -1.0548 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

(E)-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-MDZDMXLPSA-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
鳖甲	Turtle Shell	Carapax Trionycis
川楝子	Szechwan Chiberry Fruit	Fructus Meliae Toosendan
大丁草	Gerbera	Gerbera anandria [Syn. Leibnitzia anandria ]
灯笼草	Peruvian Groundcherry	Physalis peruviana
广枣	fruit of Axillary choerospondias	Fructus Choerospondiatis
龟板	Tortoise plastron	Plastrum Testudinis
胡桃叶	English Walnut Leaf	Juglans regia
君子兰	Clivia miniata Regel Gartenfl	-
开口箭	Chinese Tupistra	Tupistra chinensis
葡萄	Rose Apple	Fructus Syzygii

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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