CAS: 122872-03-1; (3Ar,4As,5S,7As,8R,9As)-5-Hydroxy-4A,8-Dimethyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One

该化合物是一个复杂的有机化合物,其独特的引信环状结构具有独特的特征,既包括和,又包括.该化合物具有一个十氢框架,表明一种具有多种氢原子的饱和环状结构.氢氧(-OH)和甲基(-CH2-)组的存在有助于其再活性和潜在的溶性.该化合物的结构复杂性还可能具有令人感兴趣的特性,例如氟化物或合成化学的独一无二性能,并引起对化学活动和相互作用的兴趣.

英文名称(3Ar,4As,5S,7As,8R,9As)-5-Hydroxy-4A,8-Dimethyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One
中文名称2-去氧-4-epi-天人菊灵
IUPAC名称(3aR,4aS,5S,7aS,8R,9aS)-5-hydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2(3H)-one
其它别名2-Desoxy-4-Epi-Pulchellin; 2,6-Dideacetoxybritanin; 2Desoxy4Epipulchellin,Inhibit,2 Desoxy 4 Epi Pulchellin,Inhibitor; Azuleno[6,5-B]Furan-2(3H)-One, Decahydro-5-Hydroxy-4A,8-Dimethyl-3-Methylene-, (3Ar,4As,5S,7As,8R,9As)-; 2-Desoxy-4-Epi-Pulchellin, 10 Mm In Dmso; (3Ar,4As,5S,7As,8R,9As)-5-Hydroxy-4A,8-Dimethyl-3-Methylenedecahydroazuleno[6,5-B]Furan-2(3H)-One
CAS编号122872-03-1
MFCD编号:MFCD20260360
分子式:C15H22O3分子量:250.34
产品CID: 331500
产品分类天然产物 → 倍半萜

相似结构搜索
InChIKey: BOPADYWRUULRBD-MBICNOSFSA-N
InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

物理性质

熔点135 °C
沸点408.2±45.0 °C(预测)
闪点171.6±21.5 °C
密度1.14±0.1 g/cm3(预测)
pKa:15.03±0.60(预测)
PSA:46.53
LogP:2.2913
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态白色至类白色粉末

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

N,N-dimethyl(methylene)ammonium chloride furan-2(3)H-one3aα,4,4a,5,6,7,7aα,8,9,9aα-decahydro-5β-hydroxy-4aβ,8β-dimethylazuleno6,5-bfuran-2(3)H-one (3aS,4aR,5R,7aR,8R,9aS)-3-Dimethylaminomethyl-5-hydroxy-4a,8-dimethyl-decahydro-azuleno[6,5-b]furan-2-one (3aS,4aR,5R,7aR,8R,9aS)-5-Hydroxy-4a,8-dimethyl-2-oxo-dodecahydro-azuleno[6,5-b]furan-3-carboxylic acid (+/-)-confertin