4075-20-1 (14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one,14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one)

快速询单

结构式：

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-oneMOL文件

CAS号：

4075-20-1

中文名称：

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

英文名称：

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

分子式：

C₁₉H₂₈O₃

分子量：

304.423826217651

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one(4075-20-1)名称与标识符

名称

中文别名：

14Α-羟基睾酮;

英文别名：

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one;BRN 4941891;14-Valeryloxy-kodeinon;14-Hydroxycodeinone valerate;14alpha-Hydroxytestosterone;Codeinone, 14-hydroxy-, valerate;LS-92112;14,17.BETA.-DIHYDROXYANDROST-4-EN-3-ONE;14-ALPHA,17-BETA-DIHYDROXYANDROST-4-EN-3-ONE;214G7661QX;Androst-4-en-3-one, 14,17-dihydroxy-, (17beta)-;14a,17b-dihydroxyandrost-4-en-3-one;14-Hydroxytestosterone;NSC 61693;SCHEMBL4110742;14.ALPHA.-HYDROXYTESTOSTERONE, (+)-;(8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one;UNII-214G7661QX;ANDROST-4-EN-3-ONE, 14,17-DIHYDROXY-, (17.BETA.)-;Daeo monohydrate;NSC61693;14,17-Dihydroxyandrost-4-en-3-one;NSC-61693;CHEBI:34158;14alpha,17beta-Dihydroxyandrost-4-en-3-one;DTXSID401314080;14I+/--Hydroxytestosterone;Q27115854;4075-20-1;14.ALPHA.,17.BETA.-DIHYDROXYANDROST-4-ENE-3-ONE;14.ALPHA.-HYDROXYTESTOSTERONE;

标识符

InChIKey：

GLOZYJRFVSVZDB-XNIJUTNWSA-N

Inchi：

1S/C19H28O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-16,21-22H,3-10H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1

SMILES：

O[C@@]12CC[C@@H]([C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(C=C3CC[C@@H]21)=O)O

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one(4075-20-1)物化性质

实验特性

LogP : 2.99410
PSA : 57.53

计算特性

精确分子量 : 304.20394
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 304.20384475g/mol
重原子数量 : 22
复杂度 : 553
同位素原子数量 : 0
确定原子立构中心数量 : 6
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.1
拓扑分子极性表面积 : 57.5Å²

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one(4075-20-1)安全信息

14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one(4075-20-1)相关文献

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