CAS: 88191-14-4; (E)-17-(5,6-Dimethylhept-3-En-2-yl)-3,5,9-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-Tetradecahydro-6H-Cyclopenta[a]Phenanthren-6-One

英文名称(E)-17-(5,6-Dimethylhept-3-En-2-yl)-3,5,9-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-Tetradecahydro-6H-Cyclopenta[a]Phenanthren-6-One
中文名称3,5,9-三羟基麦角甾-7,22-二烯-6-酮
IUPAC名称(E)-17-(5,6-dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
其它别名3,5,9-Trihydroxyergosta-7,22-Dien-6-One; 3Beta,5Alpha,9Alpha-Trihydroxy-(22E,24R)-Ergosta-7,22-Dien-6-One; Ergosta-7,22-Dien-6-One, 3,5,9-Trihydroxy-, (3β,5α,22E)-; 3β,5α,9α-Trihydroxyergosta-7,22-Dien-6-One; 3β,5α,9α-Trihydroxy-(22E,24R)-Ergosta-7,22-Dien-6-One
CAS编号88191-14-4
MFCD编号:MFCD20260677
分子式:C28H44O4分子量:444.66
产品CID: 1891178
产品分类天然产物 → 甾体化合物

相似结构搜索
InChIKey: GUERPVMWCQXYEU-BQYQJAHWSA-N
InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+
计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数4.0

物理性质

沸点581.3±50.0 °C at 760 mmHg
闪点319.4±26.6 °C
密度1.1±0.1 g/cm3
PSA:77.76
LogP:4.8195
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H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

合成工艺路线路线简述

📜22E,24R-Ergosta-7,22-Diene-3β,5α,6β,9α-Tetraol置于manganese(Iv) Oxide体系中,用四氢呋喃,二氯甲烷作为反应溶剂,化学反应 2.0H,反应生成 3,5,9-三羟基麦角甾-7,22-二烯-6-酮
参考文献:Steroides Cytotoxiques De Polyporus Versicolor
标题:Steroides Cytotoxiques De Polyporus Versicolor
摘要:
DOI:10.1016/s0040-4020(01)82446-7