3131-23-5
3131-23-5 结构式
基本信息
中文别名
4-羟雌甾酮 英文别名
4-OH-E14-HYDROXYESTRONE
1,3,5(10)-ESTRATRIEN-3,4-DIOL-17-ONE
1,3,5[10]-ESTRATRIENE-3,4-DIOL-17-ONE
5(10)-trien-17-one,3,4-dihydroxy-estra-3
3,4-DIHYDROXY-1,3,5[10]-ESTRATRIEN-17-ONE
3,4-dihydroxyestra-1,3,5(10)-trien-17-one
3,4-Dihydroxyestra-1(10),2,4-triene-17-one
3,4-Dihydroxy-1(10),2,4-estratriene-17-one
(9S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
物理化学性质
熔点260-263°C
沸点468.2±45.0 °C(Predicted)
密度1.241±0.06 g/cm3(Predicted)
闪点93 °C
储存条件−20°C
溶解度DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
酸度系数(pKa)10.06±0.40(Predicted)
形态Solid
颜色Pale Yellow to Light Brown
InChI1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
InChIKeyXQZVQQZZOVBNLU-QDTBLXIISA-N
SMILES[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc4c(O)c(O)ccc24