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化合物简介

Estrone (E1, and also oestrone) is an estrogenic hormone secreted by the ovary as well as adipose tissue with the chemical name of 3-hydroxyestra-1,3,5(10)-triene-17-one and the chemical formula C18H22O2. Estrone is an odorless, solid crystalline powder, white in color with a melting point of 254.5°C and a specific gravity of 1.23. Estrone is one of several natural estrogens, which also include estriol and estradiol. Estrone is the least abundant of the three hormones; estradiol is present almost always in the reproductive female body, and estriol is abundant primarily during pregnancy.

基本信息

CAS:53-16-7
中文别名:雌(甾)酮;雌(三烯酚)酮;雌激素酮;3-羟基雌甾-1,3,5(10)-三烯-17-酮;α-卵泡激素;雌甾酮;雌酮;
英文别名:Femidyn;Estron;1,3,5(10)-Estratrien-3-ol-17-one;Kolpon;Estrona;E 1;Estra-1,3,5(10)-trien-17-one, 3-hydroxy-;Estrone;3-Hydroxy-1,3,5(10)-estratrien-17-one;Folisan;Folipex;ESTROL;Estrin;
分子式:C18H22O2
分子量:270.366
精确质量:270.162
Psa:37.3
Logp:3.8174

编号系统

UNII:2DI9HA706A

物化性质

外观与性状:白色结晶粉末
密度:1.164 g/cm3
沸点:445.2ºC at 760 mmHg
熔点:258-260°C(lit.)
闪点:189.7ºC
折射率:165 ° (C=1, Dioxane)
水溶解性:0.03 g/L
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

安全信息

RTECS号:KG8575000
安全说明:S53-S45
危险类别码:R45; R60; R61
WGK Germany:3
海关编码:2937290090
包装等级:I; II; III
危险品标志:T
危险性防范说明:P210; P260; P280; P301 + P310 + P330; P302 + P352 + P312; P370 + P378
信号词:Danger
危险性描述:H225; H301 + H311 + H331; H370
危险标志:GHS02, GHS06, GHS08

生产方法及用途

生产方法
1.在17β-羟甾类脱氢酶的作用下由17β-雌二醇制成。 2. 雌酚酮原料药功能是合成医药炔雌醇的原料药。
用途
雌酚酮原料药功能是合成医药炔雌醇的原料药。

合成路线

上游原料

下游产品

图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


Mass spectrum (electron ionization)


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