CAS号:7630-74-2-去氢荷叶碱 - Dehydronuciferine-科华智慧

1. 主信息

英文名:	Dehydronuciferine
中文名:	去氢荷叶碱
CAS编号:	7630-74-2
化学分子式：	C₁₉H₁₉NO₂
化学分子量：	293.4 g/mol
SMILES：	CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC
来源：	-
结构类型：	-
其它名称或标识：	-

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	20mg	HPLC≥98%	1152	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 41 44 0 1 0 0 0 0 0999 V2000 2.1674 1.8827 0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.1174 0.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 -2.6743 -0.0115 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.1898 -0.9884 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -2.0120 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -1.3299 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 -3.4543 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -3.6307 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 0.3752 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 1.4181 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -0.2850 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 1.0642 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -1.7117 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 0.6310 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 -0.3917 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 -3.0624 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 2.8062 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 2.0577 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 3.7841 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 3.4090 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9802 2.2077 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 0.0220 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -3.7487 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 -4.1028 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 -4.6606 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 -3.4881 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 -0.5163 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 -2.5117 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -4.1494 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -2.6306 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9006 -2.7524 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 3.2129 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1746 1.7839 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 4.8363 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 4.1625 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 1.5278 2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 3.2133 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 2.2389 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 0.8266 -1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -0.9187 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 0.2734 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 13 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene

4.2 InChl

InChI=1S/C19H19NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,10-11H,8-9H2,1-3H3

4.3 InChlKey

JBGSWIBJAGBGOP-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.40886 -2.27851 0 0
M  V30 2 N 2.39919 -1.36006 0 0
M  V30 3 C 3.1874 -0.899569 0 0
M  V30 4 C 3.18342 0.0123728 0 0
M  V30 5 C 2.38546 0.473075 0 0
M  V30 6 C 2.37873 1.38972 0 0
M  V30 7 C 1.58643 1.84074 0 0
M  V30 8 C 0.79823 1.38024 0 0
M  V30 9 C 0.792911 0.463241 0 0
M  V30 10 C 1.59726 0.0125833 0 0
M  V30 11 C 1.5976 -0.914109 0 0
M  V30 12 C 0.804687 -1.37735 0 0
M  V30 13 C 0.0169341 -0.923312 0 0
M  V30 14 C -0.77421 -1.39963 0 0
M  V30 15 C -1.58229 -0.952643 0 0
M  V30 16 C -1.59922 -0.0293307 0 0
M  V30 17 C -0.808079 0.446991 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 O 0.00781806 1.83694 0 0
M  V30 20 C -0.782894 1.38076 0 0
M  V30 21 O 1.58131 2.75239 0 0
M  V30 22 C 0.789227 3.20378 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 11
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 21
M  V30 11 1 8 9
M  V30 12 1 8 19
M  V30 13 1 9 18
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 1 13 18
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 19 20
M  V30 25 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END

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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
荷叶	Lotus leaf	Folium Nelumbinis

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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