16Β-甲基孕甾-1,4,9(11)-三烯-17Α-醇-3,20-二酮(14135-32-1)名称与标识符
名称
中文别名:
16Β-甲基孕甾-1,4,9(11)-三烯-17Α-醇-3,20-二酮;17α-羟基-16β-甲基孕甾-1,4,9(11)-三烯-3,20-二酮;4-(吡咯烷-1-基)-2-丁胺;-甲基孕甾-1,4,9(11)-三烯-3,20-二酮;-羟基-16β
英文别名:
Pregna-1,4,9(11)-triene-3,20-dione,17-hydroxy-16-methyl-, (16b)-;17-Hydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione;16β-methyl-17α-hydroxy-pregna-1,4,9(11)-triene-3,20-dione;17α16-Methylpregna-1,4,9(11)-trien-17-ol-3,20-dione;14135-32-1;SCHEMBL10497021;(8S,10S,13S,14S,16S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one;17alpha-hydroxy-16beta-methyl-pregna-1,4,9(11)-triene-3,20-dione;
标识符
InChIKey:
CLDXDQCMDMJVJB-VHIIPZARSA-N
Inchi:
1S/C22H28O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h7-9,12-13,17,19,25H,5-6,10-11H2,1-4H3/t13-,17+,19-,20-,21-,22-/m0/s1
SMILES:
O[C@]1(C(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)C3=CC[C@@]21C)=O
16Β-甲基孕甾-1,4,9(11)-三烯-17Α-醇-3,20-二酮(14135-32-1)生产方法和用途
生产方法:
可用孕甾-4-烯-16α,17α-环氧-3,11,20-三酮即11-酮基-16α,17α-环氧黄体酮经(与乙二醇)缩酮化,形成16α,17α环氧孕甾-5-烯-11-酮-3,20-二乙二醇缩酮,然后经(11-酮基)还原、消除[脱水,形成9(11)双键]、(与甲基溴化镁)加成、水解(引入17α-羟基,16β-甲基)、水解(3,20-酮基复原)、消除(形成9,11-位双键)等多步反应制得该品。