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化合物简介
5α-Androstane-3β,17β-diol, also called 3β-androstanediol, and often shortened to 3β-diol, is an endogenous steroid hormone. It is a 5α-reduced and 17β-hydroxylated metabolite of dehydroepiandrosterone (DHEA) as well as a 3β-hydroxylated metabolite of dihydrotestosterone (DHT). 3β-Diol is a selective, potent, high-affinity full agonist of the ERβ, and hence, an estrogen. It has higher affinity for this receptor than estradiol. In contrast to ERβ, 3β-diol does not bind to the androgen receptor (AR). 3β-Diol has been reported to also bind to ERα with low nanomolar affinity, with several-fold lower affinity relative to ERβ. Unlike its 3α-isomer, 3α-androstanediol (3α-diol), 3β-diol does not bind to the GABAA receptor.
基本信息
CAS:571-20-0
中文别名:二氫雄甾酮;5α-雄甾烷-3β,17β-二醇;5a-雄烷二醇;5A-雄烷-3B,17B-二醇;5α-雄烷二醇;
英文别名:5alpha-androstane-3beta,17beta-diol;5α-Androstane-3β,17β-diol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;
分子式:C19H32O2
分子量:292.456
精确质量:292.24
Psa:40.46
Logp:3.7509
中文别名:二氫雄甾酮;5α-雄甾烷-3β,17β-二醇;5a-雄烷二醇;5A-雄烷-3B,17B-二醇;5α-雄烷二醇;
英文别名:5alpha-androstane-3beta,17beta-diol;5α-Androstane-3β,17β-diol;(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;
分子式:C19H32O2
分子量:292.456
精确质量:292.24
Psa:40.46
Logp:3.7509
编号系统
UNII:6J0K4253QD
物化性质
密度:1.09g/cm3
沸点:415ºC at 760mmHg
熔点:121-128°C(lit.)
闪点:186ºC
折射率:1.546
储存条件:库房通风低温干燥
沸点:415ºC at 760mmHg
熔点:121-128°C(lit.)
闪点:186ºC
折射率:1.546
储存条件:库房通风低温干燥
安全信息
RTECS号:BV8044320
安全说明:S24; S45
危险类别码:R36/38
危险品标志:Xi
安全说明:S24; S45
危险类别码:R36/38
危险品标志:Xi
生产方法及用途
合成路线
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
