CAS: 481-29-8
名称: (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SMILES:
CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O分子加工
分子式
C19H30O2
分子量
290.45
精确质量
290.2246
XLogP
3.96
TPSA
37.3
氢键给体数
1
氢键受体数
2
可旋转键
0
重原子数
21
环数
4
芳香环
0
饱和环
4
脂环
4
立体中心
7
未定义立体
7
形式电荷
0
杂原子数
2
共价单元
1
sp3占比
0.947
摩尔折射率
82.74
补充信息
InChIKey: QGXBDMJGAMFCBF-LUJOEAJASA-N
同义词
EPIANDROSTERONE481-29-8Isoandrosteroneiso-Androsterone3Beta-hydroxy-5alpha-androstan-17-oned-Epiandrosterone3beta-Hydroxyetioallocholan-17-one3beta-Hydroxy-androstan-17-one8TR252Z538CHEBI:541975DTXSID20289698NSC-93996(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-oneRefChem:590907DTXCID601030608207-563-3trans-AndrosteroneAndrostan-17-one, 3-hydroxy-, (3b,5a)-5alpha-Androstan-3beta-ol-17-one(3beta,5alpha)-3-hydroxyandrostan-17-oneMLS001304190CHEMBL272195Androsterone, epi-NSC 93996ST072176epi-andosteroneAndrosterone, trans-(1S,2S,5S,7S,11S,15S,10R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11, 15>]heptadecan-14-oneEpiandrosterone (1mg/mL in Acetonitrile)
参与 6 个反应→