(3aR,9Z,10S,11aS,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-二亚乙基-2,3,11,11a,13,14,22,22a-八氢-10H,19aH,20bH,21H-1,21:10,12-二乙基桥二吡咯并[3,2-f:3,2-f'][1,5]二吖辛因并[3,2,1-jk:7,6,5-j'k']二咔唑

  • 基本信息
  • 结构与计算化学

(3aR,9Z,10S,11aS,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-二亚乙基-2,3,11,11a,13,14,22,22a-八氢-10H,19aH,20bH,21H-1,21:10,12-二乙基桥二吡咯并[3,2-f:3,2-f'][1,5]二吖辛因并[3,2,1-jk:7,6,5-j'k']二咔唑 基本信息

中文名称:
(3aR,9Z,10S,11aS,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-二亚乙基-2,3,11,11a,13,14,22,22a-八氢-10H,19aH,20bH,21H-1,21:10,12-二乙基桥二吡咯并[3,2-f:3,2-f'][1,5]二吖辛因并[3,2,1-jk:7,6,5-j'k']二咔唑 
中文别名:
(3aR,9Z,10S,11aS,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-二亚乙基-2,3,11,11a,13,14,22,22a-八氢-10H,19aH,20bH,21H-1,21:10,12-二乙基桥二吡咯并[3,2-f:3,2-f'][1,5]二吖辛因并[3,2,1-jk:7,6,5-j'k']二咔唑 
英文名称:
10H,21H-1,21:10,12-Diethano-19aH,20bH-dipyrrolo[3,2-f:3',2'-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole,23,26-diethylidene-2,3,11,11a,13,14,22,22a-octahydro-, (3aS,10S,11aS,12S,14aS,19aS,20bS,21S,22aS,23E,26E)-
英文别名:
Nortoxiferine,dihydro-(6CI,8CI);
Bisnordihydrotoxiferine;
Nordihydrotoxiferine;
Dihydronortoxiferine;
Dihydronortoxiferine I;
Bisnor;
4,4'-Didemethyl-18,18'-dideoxytoxiferine I;
Toxiferine I,4,4'-didemethyl-18,18'-dideoxy 
CAS No.:
24163-58-4
分 子 式:
C38H40N4
分 子 量:
552.762
精确分子量:
552.32500
PSA:
12.96000
InChI:
The Key: XISKMNBBUQQBBE-SWFQZPKUSA-N
分子结构式:
SDS:
查看

(3aR,9Z,10S,11aS,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-二亚乙基-2,3,11,11a,13,14,22,22a-八氢-10H,19aH,20bH,21H-1,21:10,12-二乙基桥二吡咯并[3,2-f:3,2-f'][1,5]二吖辛因并[3,2,1-jk:7,6,5-j'k']二咔唑 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):4.3

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:13

7.重原子数量:42

8.表面电荷:0

9.复杂度:1250

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:8

13.确定化学键立构中心数量:4

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

推荐供应商更多供应商>>

QQ: 2241752642
微信二维码
电话: 19906633110