596-11-2 (((4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride)

快速询单

结构式：

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chlorideMOL文件

CAS号：

596-11-2

英文名称：

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride

分子式：

C₁₆H₂₀ClNO₃

分子量：

309.787903785706

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride(596-11-2)名称与标识符

名称

英文别名：

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride;UNII-18N5E1RCCV;beta-erythroidine hydrochloride;beta-ERYTHROIDINE, HYDROCHLORIDE;(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one;chloride;596-11-2;18N5E1RCCV;16(15H)-Oxaerythrinan-15-one, 1,2,6,7-tetradehydro-14,17-dihydro-3-methoxy-, hydrochloride;

标识符

InChIKey：

PLENFHSJZZDRNT-LINSIKMZSA-N

Inchi：

1S/C16H19NO3.ClH/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13;/h2-3,5,13H,4,6-10H2,1H3;1H/t13-,16-;/m0./s1

SMILES：

[Cl-].O(C)[C@H]1C=CC2=CC[NH+]3CCC4COC(CC=4[C@@]32C1)=O

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride(596-11-2)物化性质

实验特性

PSA : 41.43

计算特性

精确分子量 : 288.9567
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 309.1131712g/mol
重原子数量 : 21
复杂度 : 560
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 : 2
拓扑分子极性表面积 : 40Å²

(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride(596-11-2)相关文献

1. 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
2. Studies in Werner clathrates. Part 4. Structures of tetrakis(4-ethylpyridine)di-isothiocyanatonickel(II) and its clathrates with p-, m-, and o-xylene, carbon disulphide, and carbon tetrachloride
Madeleine H. Moore,Luigi R. Nassimbeni,Margaret L. Niven J. Chem. Soc. Dalton Trans. 1987 2125
3. Organic chemistry
J. Walker,W. A. Waters,B. C. L. Weedon,R. A. Raphael,J. F. W. McOmie,T. G. Halsall,J. W. Cornforth,A. S. Bailey,T. J. King,E. J. Bourne Annu. Rep. Prog. Chem. 1952 49 110
4. 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
5. Organic chemistry
G. Baddeley,W. Cocker,G. A. Swan,M. C. Whiting,J. D. Loudon,J. T. Edward,W. Klyne,W. Wilson,A. R. Pinder,G. O. Aspinall,J. C. P. Schwarz,G. R. Barker Annu. Rep. Prog. Chem. 1955 52 131
6. Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies
Feng-rui Li,Jing-hua Lv,Kai Yu,Mao-lin Zhang,Kun-peng Wang,Fan-xue Meng,Bai-bin Zhou CrystEngComm 2018 20 3522
7. Organic chemistry
A. W. Johnson,H. N. Rydon,M. J. S. Dewar,I. G. M. Campbell,J. Walker,B. C. L. Weedon,L. N. Owen,A. J. Birch Annu. Rep. Prog. Chem. 1951 48 112
8. β-Phenylethylamines and the isoquinoline alkaloids
Kenneth W. Bentley Nat. Prod. Rep. 2002 19 332
9. 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
10. Synthesis of C-homoerysodienone and its conversion into B-homoerysodienone via a dibenz[d,f]azecine; potential precursors of the homoerythrina alkaloids
Edward McDonald,Apichart Suksamrarn J. Chem. Soc. Perkin Trans. 1 1978 434

80775-42-4(1-(5-溴噻吩-2-基)-3-氯丙烷-1-酮) 81462-07-9(4-phenyloxan-4-ol) 81562-78-9(八氢异喹啉-4alpha-醇) 81574-69-8(2-溴-4,6-二甲氧基苯甲醛) 81560-06-7(5-溴-3-甲基-2-(甲基硫代)嘧啶-4(3H)-酮) 81568-09-4(5-Chloro-2-dimethylaminopyrimidine) 816448-94-9(6-METHYLQUINOLINE-4-CARBOXYLIC ACID) 81540-86-5((8Z,11Z,14Z)-(8,9,11,12,14,15-2H6)-8,11,14-Icosatrienoic acid)

960化工网为您提供(4bS,6R)-6-methoxy-3-oxo-3,4,6,10,12,13-hexahydro-1H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-11-ium chloride专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.596-11-2,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:596-11-2 国际站:596-11-2