19-Norpregn-4-ene-3,20-dione,16,17-[[1-(4-fluorophenyl)ethylidene]bis(oxy)]-21-hydroxy-, [16a(R)]- (9CI) | 147963-99-3
19-Norpregn-4-ene-3,20-dione,16,17-[[1-(4-fluorophenyl)ethylidene]bis(oxy)]-21-hydroxy-, [16a(R)]- (9CI)
147963-99-3
C28H33O5F
468.55702
名称和标识符
InChIKey |
QODLMMIYPYLOPJ-KWIKHMLBSA-N |
Inchi |
InChI=1S/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21+,22+,23-,25-,26-,27+,28+/m0/s1 |
SMILES |
FC1C=CC([C@@]2(O[C@@H]3[C@@]([C@]4(CC[C@@H]5[C@H]6CCC(=O)C=C6CC[C@H]5[C@@H]4C3)C)(C(CO)=O)O2)C)=CC=1 |
别名信息
- 英文别名 -
- 19-Norpregn-4-ene-3,20-dione,16,17-[[1-(4-fluorophenyl)ethylidene]bis(oxy)]-21-hydroxy-, [16a(R)]- (9CI)
- 19-Norpregn-4-ene-3,20-dione,16,17-[[1-(4-fluorophenyl)ethylidene]bis(oxy)]-21-hydroxy-, [16a(...
- 4-Fpedhnped
- (1'-(4-Fluorophenyl)(ethylenedioxy))-21-hydroxy-19-norpregn-4-ene-3,20-dione
- 19-Norpregn-4-ene-3,20-dione, 16,17-((1-(4-fluorophenyl)ethylidene)bis(oxy))-21-hydroxy-, (16alpha(R))-
- 147963-99-3
- 8-(4-Fluorophenyl)-6b-(hydroxyacetyl)-6a,8-dimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
- DTXSID80933266
- (1'-(4-fluorophenyl)(ethylenedioxy))-21-hydroxy-19-norpregn-4-ene-3,20-dione
物化性质
计算特性
精确分子量 |
468.231 |
氢键供体数量 |
1 |
氢键受体数量 |
6 |
可旋转化学键数量 |
3 |
同位素质量 |
468.231 |
重原子数量 |
34 |
复杂度 |
909 |
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) |
3.5 |
互变异构体数量 |
24 |
表面电荷 |
0 |
拓扑分子极性表面积 |
72.8A^2 |
19-Norpregn-4-ene-3,20-dione,16,17-[[1-(4-fluorophenyl)ethylidene]bis(oxy)]-21-hydroxy-, [16a(R)]- (9CI)推荐生产厂家