17-羟基-6-甲基-孕甾-4-烯-3,20-二酮 | 14423-24-6
17-羟基-6-甲基-孕甾-4-烯-3,20-二酮
Pregn-4-ene-3,20-dione,17-hydroxy-6-methyl-
14423-24-6
C22H32O3
344.4877
名称和标识符
InChIKey |
FRQMUZJSZHZSGN-NJMUXRGYSA-N |
Inchi |
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13?,16-,17+,18+,20-,21+,22+/m1/s1 |
SMILES |
O=C1CC[C@@]2([C@H]3CC[C@@]4([C@@](CC[C@H]4[C@@H]3CC(C)C2=C1)(O)C(=O)C)C)C |
别名信息
- 英文别名 -
- Pregn-4-ene-3,20-dione,17-hydroxy-6-methyl-
- (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- 17-Hydroxy-6.alpha.-methylprogesterone
- FRQMUZJSZHZSGN-NJMUXRGYSA-N
- Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6.alpha.)-
- 14423-24-6
- DTXSID20932273
- 17-Hydroxy-6-methylpregn-4-ene-3,20-dione- (6.alpha., 17.alpha.)- #
- 17.alpha.-Hydroxy-6.alpha.-methylprogesterone
- 17-Hydroxy-6-methylpregn-4-ene-3,20-dionato
- Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-
- 17-Hydroxy-6-methylpregn-4-ene-3,20-dione
- SCHEMBL4877448
- 17-Hydroxy-6.alpha.-methylpregn-4-en-3,20-dione
- 6.alpha.-Methyl-17.alpha.-hydroxyprogesterone
- Pregn-4-ene-3,20-dione, 17-hydroxy-6.alpha.-methyl-
- Provera (Salt/Mix)
- Farlutal (Salt/Mix)
- 6.alpha.-Methyl-4-pregnen-17.alpha.-ol-3,20-dione
物化性质
实验特性
折射率 |
1.554 |
沸点 |
488°Cat760mmHg |
闪点 |
263°C |
密度 |
1.13 |
计算特性
精确分子量 |
344.235 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
1 |
同位素质量 |
344.235 |
重原子数量 |
25 |
复杂度 |
664 |
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 |
1 |
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) |
3.5 |
拓扑分子极性表面积 |
54.4Ų |