CAS号:112-30-1-癸醇 - 1-Decanol-科华智慧

1. 主信息

英文名:	1-Decanol
中文名:	癸醇
CAS编号:	112-30-1
化学分子式：	C₁₀H₂₂O
化学分子量：	158.28 g/mol
SMILES：	CCCCCCCCCCO
来源：	-
结构类型：	-
其它名称或标识：	1-decanol n-decanol n-decyl alcohol n-decyl alcohol, aluminum salt n-decyl alcohol, magnesium 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

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 33 32 0 0 0 0 0 0 0999 V2000 -6.2254 0.3849 -0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -0.4554 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 0.3654 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 0.4029 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 -0.4889 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -0.4679 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 0.3852 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 0.3898 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 -0.4633 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.4560 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.4033 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -1.1392 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -1.0799 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 0.9562 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 1.0804 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 1.0660 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 1.0412 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 -1.1728 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -1.1056 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -1.1177 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -1.1196 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 0.9885 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 1.0827 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 1.0383 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 1.0650 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0206 -1.0801 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -1.1460 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -1.1162 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0922 -1.0681 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3982 1.0119 0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2906 1.0742 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -0.2236 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0051 -0.1947 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

decan-1-ol

4.2 InChl

InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

4.3 InChlKey

MWKFXSUHUHTGQN-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCCO

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
白芷	Dahurian Angelica Root	Radix Angelicae Dahuricae
陈皮	Dried Tangerine Peel	Pericarpium Citri Reticulatae
臭梧桐	Glorybower leaf, Clerodendron leaf	Folium Clerodentri trichotomi
臭梧桐根	Harlequin Glorybower Root	Clerodendron trichotomum
茨菇	Oldworld Arrowhead Corm	Sagittaria sagittifolia
大花红景天	Bigflower Rhodiola	Rhodiola crenulata [Syn. Rhodiola euryphylla]
红豆蔻	Galanga Galangal Fruit	Fructus Galangae
瞿麦	all-grass of Lilac Pink	herba Dianthi
沙棘	fruit of seabuckthorn	fructus hippophae
芫荽	Coriandri Sativi Herba	-

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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