19-Norpregnane-3,17-diol,(3a,5a,17a)- | 6961-15-5
19-Norpregnane-3,17-diol,(3a,5a,17a)-
6961-15-5
C20H34O2
306.48276
名称和标识符
InChIKey |
GUBNWXDDDXQJOQ-GAXNORQESA-N |
Inchi |
InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19-,20-/m0/s1 |
SMILES |
CCC1(CCC2C1(CCC3C2CCC4C3CCC(C4)O)C)O |
别名信息
- 英文别名 -
- 19-Norpregnane-3,17-diol,(3a,5a,17a)-
- (3α,5α,17α)-19-Norpregnane-3,17-diol
- (3R,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- (3α,5α,17α)-19-Norpr
- 17-dione
- 19-nor-5-androstenedione
- 19-Nor-androst-5(10)-ene-3
- 5(10)-ESTREN-3,17-DIONE
- 5(10)-Estrene-3,17-dione
- ESTR-5(10)-EN-17SS-OL-3-ONE
- ESTR-5(10)-ENE-3,17-DIONE
- estra-5(10)-en-3,17-dione
- Estra-5(10)-ene-3,17-dione
- ESTRA-5-ENE-3,17-DIONE
- ISO-NAD
- Norandrost-5(10)-Ene-Dione
- Oestr-5(10)-en-3,17-dion
- oestr-5(10)-ene-3,17-dione
- 19-NOR-5.ALPHA.,17.ALPHA.-PREGNANE-3.ALPHA.,17-DIOL
- NSC61713
- 17.ALPHA.-ETHYL-5A-ESTRANE-3.ALPHA.,17.BETA.-DIOL
- UNII-41JO2BDJ1M
- NSC-61713
- 19-Nor-5alpha,17alpha-pregnane-3alpha,17-diol
- 17.ALPHA.-ETHYL-5.ALPHA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL
- (3.ALPHA.,5.ALPHA.,17.ALPHA.)-19-NORPREGNANE-3,17-DIOL
- Q27258442
- DTXSID001024451
- 6961-15-5
- (3a,5a,17a)-19-Norpregnane-3,17-diol
- 41JO2BDJ1M
- 19-Norpregnane-3,17-diol, (3alpha,5alpha,17alpha)-
- 17alpha-Ethyl-5a-estrane-3alpha,17beta-diol
- 17alpha-Ethyl-5alpha-estrane-3alpha,17beta-diol
- (3alpha,5alpha,17alpha)-19-Norpregnane-3,17-diol
- 19-NORPREGNANE-3,17-DIOL, (3.ALPHA.,5.ALPHA.,17.ALPHA.)-
物化性质
实验特性
LogP |
4.14100 |
PSA |
40.46000 |
折射率 |
1.531 |
沸点 |
430°Cat760mmHg |
闪点 |
191.1°C |
密度 |
1.059 |
计算特性
精确分子量 |
306.25600 |
氢键供体数量 |
2 |
氢键受体数量 |
2 |
可旋转化学键数量 |
1 |
同位素质量 |
306.256 |
重原子数量 |
22 |
复杂度 |
435 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
8 |
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) |
4.5 |
拓扑分子极性表面积 |
40.5A^2 |
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