CAS号:141-22-0-蓖麻油酸 - Ricinoleic acid-科华智慧

1. 主信息

英文名:	Ricinoleic acid
中文名:	蓖麻油酸
CAS编号:	141-22-0
化学分子式：	C₁₈H₃₄O₃
化学分子量：	298.5 g/mol
SMILES：	CCCCCCC(CC=CCCCCCCCC(=O)O)O
来源：	-
结构类型：	-
其它名称或标识：	12-D-hydroxy-9-trans-octadecenoic acid 12-hydroxy-9-octadecenic acid 12-hydroxy-9-octadecenoic acid 12-hydroxyoctadec-cis-9-enoic acid 9-octadecenoic acid, 12-hydroxy-, (9E,12R)-

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≥95%	640	点击购买	-20℃	现货	-
科华智慧	100mg	98%，100mg in 200ul Ethanol	640	点击购买	-20℃	现货	-
科华智慧	2.5l	≥95%(T)	440	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 1 0 0 0 0 0999 V2000 2.7128 -1.5702 2.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -0.1147 1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 2.0073 1.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -2.2930 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.1369 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -1.1049 0.6725 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2791 -2.4171 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 1.8537 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 2.3954 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 2.6881 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.2848 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -3.3449 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 1.5712 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 2.1412 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 2.0749 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -2.5742 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 1.0959 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 2.1770 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 1.2015 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 -3.4850 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 1.1197 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -2.9550 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -1.9274 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -3.9646 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -3.6015 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.4594 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -1.6281 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -1.9226 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 1.8055 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.8285 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.4697 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.4182 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.7257 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 2.7112 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.8003 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 -0.2498 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -4.1356 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -3.8345 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.5430 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.5185 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 2.7684 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.1487 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 3.0935 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 2.1476 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -1.7720 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -2.1034 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 1.2090 2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 3.1389 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 1.5999 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 0.1926 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.7924 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -3.9435 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -4.2842 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.9129 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -0.2011 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(Z,12R)-12-hydroxyoctadec-9-enoic acid

4.2 InChl

InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1

4.3 InChlKey

WBHHMMIMDMUBKC-QJWNTBNXSA-N

4.4 Canonical SMILES

CCCCCCC(CC=CCCCCCCCC(=O)O)O

4.5 lsomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)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
蓖麻子	Castor Seed	Semen Ricini
灵芝	Lucid Ganoderma	Ganoderma Lucidum seu Japonicum

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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