13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol 基本信息
CAS号 3589-90-0 分子式 C23H32O3
分子量 356.49800 精确质量 　356.23500
PSA 　38.69000 LogP 　5.16010
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等价的CAS号：

3589-90-0,130061-45-9,130061-47-1
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
3589-90-0
3D弹球模型：
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分子式：
C23H32O3
分子量：
356.49800
英文名称：
13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
英文别名：
13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol;
17beta-Estradiol 3-tetrahydropyranyl ether;
RS-2290
精确分子量/精确质量：
356.23500
极性分子表面积/PSA：
38.69000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: DRRJWMXJIVWKKW-JCAMAGOOSA-N

物化性质展开↓

密度：
1.16g/cm3
沸点：
508.8ºC at 760 mmHg
闪点：
261.5ºC
折射率：
1.585

合成路线查看所有的合成路线

  • 3589-91-1

    2,2'-[[(17β)-Estra-1,3,5(10)-triene-3,17-diyl]bis(oxy)]bis[tetrahydro-2H-pyran

  • →

    ~50%

  • 3589-90-0

    13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

  • 112506-37-3

    3-O-(tert-butyldimethylsilyl)-17β-O'-(tetrahydropyranyl)-19-oxoandrosta-2,4-diene-3,17β-diol

  • →

    ~39%

  • 3589-90-0

    13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

  • +

  • 112506-38-4

    3-O-(tert-butyldimethylsilyl)-17β-O'-(tetrahydropyranyl)estradiol

  • 50704-79-5

    19-Nor-testosteron-tetrahydropyranyl-(2)-aether

  • →

  • 3589-90-0

    13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG7742000
CHEMICAL NAME :
Estra-1,3,5(10)-trien-3-ol, 17-beta-(tetrahydro-2H-pyran-2-yloxy)-
CAS REGISTRY NUMBER :
3589-90-0
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C23-H32-O3
MOLECULAR WEIGHT :
356.55

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
26400 ng/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 20,211,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 20,211,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1500 ug/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 20,211,1969

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