CAS: 41059-80-7; 1A,5-Dimethyl-8-Methylene-9-Oxo-1A,2,3,6,7,7A,8,9,10A,10B-Decahydrooxireno[2',3':9,10]Cyclodeca[1,2-B]Furan-7-Yl Acetate

英文名称1A,5-Dimethyl-8-Methylene-9-Oxo-1A,2,3,6,7,7A,8,9,10A,10B-Decahydrooxireno[2',3':9,10]Cyclodeca[1,2-B]Furan-7-Yl Acetate
中文名称鹅掌揪内酯
IUPAC名称1a,5-dimethyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-7-yl acetate
其它别名(1Ar,4E,7R,7Ar,10As,10Br)-7-Acetoxy-2,3,6,7,7A,8,10A,10B-Octahydro-1A,5-Dimethyl-8-Methyleneoxireno[9,10]Cyclodeca[1,2-B]Furan-9(1Ah)-One; Lipiferolide; Oxireno[9,10]Cyclodeca[1,2-B]Furan-9(1Ah)-One,7-(Acetyloxy)-2,3,6,7,7A,8,10A,10B-Octahydro- 1A,5-Dimethyl-8-Methylene-,[1Ar-(1Ar*,4E,- 7R*,7Ar*,10As*,10Bs*)]-; Oxireno[9,10]Cyclodeca[1,2-B]Furan-9(1Ah)-One, 7-(Acetyloxy)-2,3,6,7,7A,8,10A,10B-Octahydro-1A,5-Dimethyl-8-Methylene-, (1Ar,4E,7R,7Ar,10As,10Bs)-; 8.β.-Acetoxy-Parthenolide
CAS编号41059-80-7
分子式:C17H22O5分子量:306.36
产品CID: 1424976
产品分类天然产物 → 倍半萜

相似结构搜索
InChIKey: ODYJJNFWFYUXSS-SOZNHUOKSA-N
InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3
计算化学: 氢键受体数5.0氢键供体数*可旋转键数2.0

物理性质

沸点444.8±45.0 °C(预测)
闪点196.3 °C
密度1.19±0.1 g/cm3(预测)
PSA:65.13
LogP:2.3036
折射率1.531
蒸汽压4.16E-08 mmHg at 25 °C
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

deacetyllipiferolide acetic anhydride epitulipinolide α-cyclolipiferolide Acetic acid (3aR,4R,6S,8aR)-6-methyl-3-methylene-2-oxo-7-(3-oxo-butyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-4-yl ester Acetic acid (E)-(3aR,4R,11S,11aS)-10-fluoro-11-hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester

合成工艺路线路线简述

📜Inulasalsolin,乙酸酐在吡啶体系中,反应 24.0H,以70 Mg的收率获得8β-Hydroxyparthenolide Acetate
参考文献:Sesquiterpene Lactones And Thymol Esters From Vicoa Pentanema
标题:Sesquiterpene Lactones And Thymol Esters From Vicoa Pentanema
摘要:The Aerial Parts Of Vicoa Pentanema Yielded Four New Sesquiterpene Lactones,Namely,10 Alpha-Hydroxy-14H-Inuviscolide (1),4 Alpha,5 Alpha-Epoxy-10 Alpha,11 Beta,13H,14H-1-Epi-Inuviscolide 3-Beta-D-Glucoside (2),2 Alpha-O-Acetyl-3 Beta-Hydroxyalantolactone (3),And 2 Alpha,3 Alpha-Dihydroxyalloalantolactone (4). The Structure And Stereochemical Assignments Of All Sesquiterpenes Were Based On Their Ih And C-13-Nmr Spectral Data,Including Those Derived From 2D-Nmr Cosy,Hetcor,Flok,And Noesy Experiments,As Well As Extensive Noe-Difference Studies. In Addition,The Same Plant Material Yielded The Known Sesquiterpene Lactones 8 Beta-Hydroxyparthenolide (5),8-Epi-Confertin (6),4 Alpha,5 Alpha-Epoxy-10 Alpha,14H-1-Epi-Inuviscolide (7),Inuviscolide (8),Lipiferolide (9),And Carabrone (Pq),The Known Thymol Ester 7,8-Epoxy-9-(Isobutyryloxy)Thymolisobutyrate (11),And Its Hydrolysis Product 7-Hydroxy-8,9-Bis(Isobutyryloxy)Thymol (12).
Doi:10.1021/Np960506O