结构:CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O
HCID15

17-Hydroxyandrostan-3-one

17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

C19H30O2290.4 g/molCAS 571-22-2

IDENTITY

结构与身份

标准 SMILES
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O
InChIKey
NVKAWKQGWWIWPM-UHFFFAOYSA-N
分子式
C19H30O2
平均分子量
290.4 g/mol
单同位素质量
290.2245802

COMPUTED

结构计算性质

等待补全
XLogP
3.7
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
21
形式电荷
0
复杂度
458
物化、安全与法规信息正在同步。

ALIASES

名称与别名

28
17-Hydroxyandrostan-3-one17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-oneRefChem:1057624Etiocholan-17.beta.-ol-3-oneAnaprotin5.beta.,17.beta.-Hydroxyandrostan-3-one5.beta.-Androstan-3-one, 17.beta.-hydroxy-5B-DIHYDROTESTOSTERONE5ALPHA-ANDROSTAN-17BETA-OL-3-ONE-2,2,4,4-D4Androstan-3-one, 17-hydroxy-, (5.alpha.,17.beta.)-Oprea1_456186SCHEMBL9340073NVKAWKQGWWIWPM-UHFFFAOYSA-NAAA57124FAA29566NSC15460NSC61692NSC-61692STK366316

REACTIONS

参与反应

3
HRID300723

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 300723 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID943855

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 943855 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看条件与参与物
HRID1145093

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1145093 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看条件与参与物