604-26-2
中文名称
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
英文名称
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
CAS
604-26-2
分子式
C20H30O2
分子量
302.45
MOL 文件
604-26-2.mol
604-26-2 结构式
基本信息
中文别名
美睾酮杂质A EP标准品 英文别名
1α-MethyltestosteroneMesterolone impurity A CRS
17β-Hydroxy-1α-methylandrost-4-en-3-one
(1α,17β)-17-Hydroxy-1-methylandrost-4-en-3-one
17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
Androst-4-en-3-one, 17-hydroxy-1-methyl-, (1α,17β)-
(1S,8R,9S,10R,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
物理化学性质
熔点190-191 °C
沸点438.9±45.0 °C(Predicted)
密度1.10±0.1 g/cm3(Predicted)
蒸气压0.001Pa at 25℃
储存条件2-8°C
酸度系数(pKa)15.06±0.70(Predicted)
形态neat
水溶解性90mg/L at 25℃
主要应用pharmaceutical (small molecule)
InChI1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyKROXBRXHRBCDNO-IFMMWYRXSA-N
SMILESO[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@]4([C@H](CC(=O)C=C4CC3)C)C)CC2)CC1)C
LogP2.92 at 25℃
