(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol

(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol 基本信息
CAS号 26011-40-5 分子式 C21H26O3
分子量 326.42900 精确质量  326.18800
PSA  49.69000 LogP  3.62120

基本信息 展开↓

CAS号:
26011-40-5
3D弹球模型:
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分子式:
C21H26O3
分子量:
326.42900
中文名称:
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol
英文名称:
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol
中文别名:
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol
英文别名:
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,17-diol;
17|A-Ethynyl-2-hydroxyestradiol 3-Methyl Ether;
2-Hydroxy Mestranol;
19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-2,17-diol,3-methoxy-(8CI);
(17|A)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-2,17-diol
精确分子量/精确质量:
326.18800
极性分子表面积/PSA:
49.69000
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: SKJZENPUQVKMJH-PVHGPHFFSA-N

物化性质展开↓

密度:
1.22g/cm3
沸点:
476ºC at 760 mmHg
闪点:
241.7ºC
折射率:
1.612
蒸汽压:
7.21E-10mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RC8944200
CHEMICAL NAME :
19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-2,17-di ol, 3-methoxy-
CAS REGISTRY NUMBER :
26011-40-5
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H26-O3
MOLECULAR WEIGHT :
326.47

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
30 mg/kg
SEX/DURATION :
female 1-6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
STEDAM Steroids. (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609) V.1- 1963- Volume(issue)/page/year: 30,343,1977
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