20230-48-2 (（-）-阿替西林,(-)-Atisirene)

快速询单

结构式：

（-）-阿替西林MOL文件

CAS号：

20230-48-2

中文名称：

（-）-阿替西林

英文名称：

(-)-Atisirene

分子式：

C₂₀H₃₂

分子量：

272.468086242676

（-）-阿替西林(20230-48-2)名称与标识符

名称

英文别名：

(-)-Atisirene;(5β,8α,9β,10α,12α)-Atis-16-ene;ent-atiserene;CHEBI:138219;DTXSID401318620;(5beta,8alpha,9beta,10alpha,12alpha)-atis-16-ene;20230-48-2;C21711;ent-atiser-16-ene;ent-Atisir-16-ene;

标识符

InChIKey：

LFRRHLVVLXYROS-YQXATGRUSA-N

Inchi：

1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1

SMILES：

[C@@H]12C[C@H]3C(=C)C[C@@]1(CC3)CC[C@@H]1C(C)(C)CCC[C@@]21C

（-）-阿替西林(20230-48-2)物化性质

计算特性

精确分子量 : 272.250401021g/mol
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 272.250401021g/mol
重原子数量 : 20
复杂度 : 445
同位素原子数量 : 0
确定原子立构中心数量 : 5
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） : 6.9
拓扑分子极性表面积 : 0Å²

（-）-阿替西林(20230-48-2)相关文献

1. The acid-catalysed rearrangement of diterpene hydrocarbons. Part I. Kaurene, isoatisirene, stachene, and trachylobane
R. A. Appleton,A. J. McAlees,A. McCormick,R. McCrindle,R. D. H. Murray J. Chem. Soc. C 1966 2319
2. An enantioselective total synthesis of (+)-atisirene by intramolecular double Michael reaction
Masataka Ihara,Masahiro Toyota,Keiichiro Fukumoto,Tetsuji Kametani J. Chem. Soc. Perkin Trans. 1 1986 2151
3. A conversion of (–)-kaurene into (–)-phyllocladene, (–)-atisirene, and (–)-neoatisirene
R. A. Appleton,P. A. Gunn,R. McCrindle Chem. Commun. (London) 1968 1131
4. Index pages
J. Chem. Soc. Perkin Trans. 1 1986 A003
5. Buffered acetolyses of the toluene-p-sulphonates of exo- and endo-17-norkauran- and 17-norphyllocladan-16-ols
R. A. Appleton,P. A. Gunn,R. McCrindle J. Chem. Soc. C 1970 1148
6. Two rings in them all: The labdane-related diterpenoids
Reuben J. Peters Nat. Prod. Rep. 2010 27 1521
7. Diterpenes. Part X. Some transformations of phyllocladene and isophyllocladene
K. M. Baker,Lindsay H. Briggs,J. G. St. C. Buchanan,R. C. Cambie,B. R. Davis,R. C. Hayward,G. A. S. Long,P. S. Rutledge J. Chem. Soc. Perkin Trans. 1 1972 190
8. The solvolytic behaviour of exo- and endo-bicyclo[3,2,1]octane-6-toluene-p-sulphonates
R. A. Appleton,J. C. Fairlie,R. McCrindle,W. Parker J. Chem. Soc. C 1968 1716
9. Constituents of erythroxylon species. Part VII. Diterpenoids from Erythroxylon australe
J. D. Connolly,A. E. Harding J. Chem. Soc. Perkin Trans. 1 1972 1996
10. Highly stereocontrolled construction of tricyclo[6.2.2.0]dodecanes by intramolecular double Michael reaction
Masataka Ihara,Masahiro Toyota,Mariko Abe,Yohhei Ishida,Keiichiro Fukumoto,Tetsuji Kametani J. Chem. Soc. Perkin Trans. 1 1986 1543