7290-03-1 (刺桐定碱,Erysodine)

快速询单

结构式：

刺桐定碱MOL文件

CAS号：

7290-03-1

中文名称：

刺桐定碱

英文名称：

Erysodine

分子式：

C₁₈H₂₁NO₃

分子量：

299.3642

植物源：

象牙花

刺桐定碱(7290-03-1)名称与标识符

名称

中文别名：

刺桐定碱;

英文别名：

erysodine;6WZ3T41Y11;BDBM50006647;Q27265641;Erysodin;1,2,6,7-Tetradehydro-3,15-dimethoxyerythrinan-16-ol;UNII-6WZ3T41Y11;1,2,6,7-Tetradehydro-3,15-dimethoxy-(3beta)-Erythrinan-16-ol;CHEMBL446533;1,2,6,7-tetradehydro-3beta,15-dimethoxyerythrinan-16-ol;NS00094135;Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3.beta.)-;(12R,13aS)-2,12-dimethoxy-5H,6H,8H,12H,13H-indolo[7a,1-a]isoquinolin-3-ol;3beta,15-dimethoxy-1,2,6,7-tetradehydroerythrinan-16-ol;CHEBI:192381;3,15-Dimethoxy-1,2,6,7-tetradehydroerythrinan-16-ol;(+)-erysodine;(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-ol;7290-03-1;DTXSID20993682;(3beta)-1,2,6,7-tetradehydro-3,15-dimethoxyerythrinan-16-ol;Erythrinan-16-ol, 1,2,6,7-tetradehydro-3,15-dimethoxy-, (3beta)-;

标识符

InChIKey：

BDIVMECULLJBMU-KSSFIOAISA-N

Inchi：

1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1

SMILES：

O(C([H])([H])[H])[C@@]1([H])C([H])=C([H])C2=C([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C([H])C(=C(C([H])=C4[C@@]32C1([H])[H])OC([H])([H])[H])O[H]

刺桐定碱(7290-03-1)物化性质

计算特性

精确分子量 : 299.15214353g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 299.15214353g/mol
重原子数量 : 22
复杂度 : 503
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.8
拓扑分子极性表面积 : 41.9

刺桐定碱(7290-03-1)相关文献

1. Erythrina alkaloids. Part 6. Isolation and characterisation of alkaloids from Erythrina berteroana seeds and leaves: formation of oxoerythroidines
Amrik S. Chawla,Anthony H. Jackson,Peter Ludgate J. Chem. Soc. Perkin Trans. 1 1982 2903
2. Partial synthesis of 11-oxygenated erythrina alkaloids
Maysoon. I. Abdullah,Amrite S. Chawla,Anthony. H. Jackson J. Chem. Soc. Chem. Commun. 1982 904
3. The constitutions of erythratine and erysodine and the biosynthesis of the erythrina alkaloids
D. H. R. Barton,R. James,G. W. Kirby,D. W. Turner,D. A. Widdowson Chem. Commun. (London) 1966 294
4. Phenol oxidation and biosynthesis. Part XVIII. The structure and biosynthesis of Erythrina alkaloids
D. H. R. Barton,R. James,G. W. Kirby,D. W. Turner,D. A. Widdowson J. Chem. Soc. C 1968 1529
5. Phenol oxidation and biosynthesis. Part XXIV. Origin of chirality in the erythrinan system and derivation of the lactone rings of α- and β-erythroidine
Derek H. R. Barton,Ruben D. Bracho,Christopher J. Potter,David A. Widdowson J. Chem. Soc. Perkin Trans. 1 1974 2278
6. Phenol oxidation and biosynthesis. Part XXII. The alkaloids of Erythrina lysistemon, E. abyssinica, E. poeppigiana, E. fusca, and E. Lithosperma; the structure of erythratidine
Derek H. R. Barton,Abeysinghe A. L. Gunatilaka,Roy M. Letcher,Awa M. F. T. Lobo,David A. Widdowson J. Chem. Soc. Perkin Trans. 1 1973 874
7. Phenol oxidation and biosynthesis. Part XXI. The biosynthesis of the Erythrina alkaloids
D. H. R. Barton,R. B. Boar,D. A. Widdowson J. Chem. Soc. C 1970 1213
8. Mass spectra of the Erythrina alkaloids: a novel fragmentation of the spiran system
R. B. Boar,D. A. Widdowson J. Chem. Soc. B 1970 1591
9. Index pages
Nat. Prod. Rep. 1986 3 I1
10. Erthrina and related alkaloids
A. S. Chawla,A. H. Jackson Nat. Prod. Rep. 1984 1 371