孕-5-烯-20-羧酸,3-(乙酰氧基)-,(3b,20S)- | 1474-14-2
孕-5-烯-20-羧酸,3-(乙酰氧基)-,(3b,20S)-
Pregn-5-ene-20-carboxylicacid, 3-(acetyloxy)-, (3b,20S)-
1474-14-2
C24H36O4
388.54024
名称和标识符
InChIKey |
WRMRAQBPFAXGNJ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C24H36O4/c1-14(22(26)27)19-7-8-20-18-6-5-16-13-17(28-15(2)25)9-11-23(16,3)21(18)10-12-24(19,20)4/h5,14,17-21H,6-13H2,1-4H3,(H,26,27) |
SMILES |
C(OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC2C(C(O)=O)C)C1)(=O)C |
别名信息
- 英文别名 -
- Pregn-5-ene-20-carboxylicacid, 3-(acetyloxy)-, (3b,20S)-
- (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
- Acetoxybisnorcholenic acid
- Bis-nonafluorbutyl-aether
- bis-nonafluorobutyl ether
- Bisnorcholenic acid acetate
- Dinonafluorobutyl ether
- Diperfluorobutyl ether
- perfluorobutyl ether
- Perfluorodibutylether
- Perfluoro-n-dibutyl ether
- 1474-14-2
- Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-
- 23,24-Bisnor-3beta-acetoxy-5beta-cholen-22-oic acid
- Pregn-5-ene-20-carboxylic acid, 3-(acetyloxy)-, (3beta,20S)-(9CI)
- NSC 224321
- 22,23-Bisnor-5-cholenic acid, 3.beta.-hydroxy, acetate(ester)
- (20S)-3beta-acetoxy-5-pregnene-20-carboxylic acid
- SCHEMBL10705970
物化性质
实验特性
LogP |
5.21780 |
PSA |
63.60000 |
计算特性
精确分子量 |
388.26100 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
4 |
同位素质量 |
388.26135963g/mol |
重原子数量 |
28 |
复杂度 |
697 |
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) |
5.4 |
拓扑分子极性表面积 |
63.6Ų |