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

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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 Å²
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

共 28 条

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 条

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

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

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

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