CAS号:36653-82-4-十六醇 - Cetyl Alcohol-科华智慧

1. 主信息

英文名:	Cetyl Alcohol
中文名:	十六醇
CAS编号:	36653-82-4
化学分子式：	C₁₆H₃₄O
化学分子量：	242.44 g/mol
SMILES：	CCCCCCCCCCCCCCCCO
来源：	合成化合物
结构类型：	-
其它名称或标识：	1-hexadecanol cetanol cetyl alcohol cetyl alcohol, 14C-labeled cetyl alcohol, aluminum salt

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	HPLC≥98%	320	RT	现货	-
科华智慧	500g	CP	40	RT	现货	-
科华智慧	25g	98%(GC)	176	RT	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 51 50 0 0 0 0 0 0 0999 V2000 10.0552 -0.4067 -0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 -0.3800 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 0.4825 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 0.4372 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 -0.3373 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -0.4239 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 0.4694 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 0.4435 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -0.3550 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.4135 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 0.4492 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3759 0.4510 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6724 -0.4264 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -0.4067 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9397 0.4235 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9118 0.4353 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1889 -0.4420 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.9852 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -1.0812 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 1.1557 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 1.1170 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.1075 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 1.0757 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -0.9694 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -1.0208 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -1.0498 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 -1.0992 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 1.1202 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 1.1341 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 1.0527 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 1.1352 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0754 -0.9775 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1364 -1.0471 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -1.0053 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 -1.1215 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 1.1009 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 1.1061 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 1.1710 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 1.0283 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -1.0316 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6291 -1.1216 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 -1.0105 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 -1.1240 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0004 1.1041 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 1.0425 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 1.0195 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 1.1218 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 -1.1104 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2733 -1.0531 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0828 0.1857 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8359 0.1705 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 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 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

hexadecan-1-ol

4.2 InChl

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

4.3 InChlKey

BXWNKGSJHAJOGX-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCCCCCCCCO

4.5 lsomeric SMILES

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
车前草	all-grass of Rippleseed plantain	Herba Plantaginis
川射干	Iridis Tectori Rhizoma	-
川芎	Chuanxiong rhizome, Szechuan lovage root	Radix chuanxiong；Rhizoma Chuanxiong
当归	root of Chinese Angelica	Radix Angelicae sinensis
地耳草	all - grass of Japanese St. Johnswort	Herba Hyperici Japonici
棉花根	Levant Cotton Root	Gossypium herbaceum
西川芎	Chuanxiong rhizome, Szechuan lovage root	Radix chuanxiong；Rhizoma Chuanxiong
犀角	Rhinoceros Horn	Rhinoceros unicornis , Rhinoceros sondaicus , Rhin

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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