10191-01-2 (圆叶泽兰素,2-Butenoic acid,2-methyl-,(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4-ylester, (2Z)-)

快速询单

结构式：

圆叶泽兰素MOL文件

CAS号：

10191-01-2

中文名称：

圆叶泽兰素

英文名称：

2-Butenoic acid,2-methyl-,(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4-ylester, (2Z)-

分子式：

C₂₀H₂₄O₇

分子量：

376.400366783142

圆叶泽兰素(10191-01-2)名称与标识符

名称

中文别名：

圆叶泽兰素;

英文别名：

2-Butenoic acid,2-methyl-,(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4-ylester, (2Z)-;2-butenoic acid, 2-methyl-, (3aR,4R,6R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4-yl ester, (2Z)-;2-Butenoic acid,2-methyl-,(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihyd...;2-Butenoic acid,2-methyl-,(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxo;Euparotin;[(3aR,4R,6R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (Z)-2-methylbut-2-enoate;NSC104942;(7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl) (Z)-2-methylbut-2-enoate;10191-01-2;CHEMBL1990929;NSC-104942;CHEBI:4929;DTXSID401099086;(2'R,3aR,4R,6aR,7R,9aS,9bS)-3,3a,4,5,6a,7,9a,9b-Octahydro-7,9a-dihydroxy-9-methyl-3-methylene-2-oxospiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-4-yl (2Z)-2-methyl-2-butenoate;C09434;Q27106559;

标识符

InChIKey：

ADBOAFOIAMBXJT-UITAMQMPSA-N

Inchi：

1S/C20H24O7/c1-5-9(2)17(22)26-13-7-19(8-25-19)15-12(21)6-10(3)20(15,24)16-14(13)11(4)18(23)27-16/h5-6,12-16,21,24H,4,7-8H2,1-3H3/b9-5-

SMILES：

O1CC21CC(C1C(=C)C(=O)OC1C1(C(C)=CC(C21)O)O)OC(/C(=C\C)/C)=O

圆叶泽兰素(10191-01-2)物化性质

计算特性

精确分子量 : 376.152203g/mol
氢键供体数量 : 2
氢键受体数量 : 7
可旋转化学键数量 : 3
同位素质量 : 376.152203g/mol
重原子数量 : 27
复杂度 : 796
同位素原子数量 : 0
确定原子立构中心数量 : 7
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
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） : 0.3
拓扑分子极性表面积 : 106Å²
分子量 : 376.4g/mol

圆叶泽兰素(10191-01-2)相关文献

1. Natural sesquiterpenoids
B. M. Fraga Nat. Prod. Rep. 1988 5 497
2. X-Ray determination of the structure and conformation of an oxide from helenalin
Andrew T. McPhail,Kay D. Onan J. Chem. Soc. Perkin Trans. 2 1975 496
3. Crystal and molecular structure of carolenalone, a cycloheptenone sesquiterpene lactone from North Carolina Helenium autumnale L.
Andrew T. McPhail,Kay D. Onan J. Chem. Soc. Perkin Trans. 2 1976 332
4. Index pages
Nat. Prod. Rep. 1986 3 I1
5. Palladium dihalide catalysed stereoselective synthesis of α-(Z)-halomethylene-γ-butyrolactone derivatives
Shengming Ma,Xiyan Lu J. Chem. Soc. Chem. Commun. 1990 733
6. Sesquiterpenoids. Part XXIV. X-Ray crystallographic analysis of paucin monohydrate, a pseudoguaianolide glucoside
Philip J. Cox,George A. Sim J. Chem. Soc. Perkin Trans. 2 1977 259
7. Index pages
Nat. Prod. Rep. 1993 10 I1
8. Natural sesquiterpenoids
B. M. Fraga Nat. Prod. Rep. 1986 3 273
9. Chapter 10. Terpenoids and steroids
A. B. Turner Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1967 64 349
10. Subject index
Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1967 64 567