HCID4159

6-alpha-Methylprednisolone

11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

C22H30O5374.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12
InChIKey: VHRSUDSXCMQTMA-UHFFFAOYSA-N
分子式: C22H30O5
平均分子量: 374.5 g/mol
单同位素质量: 374.20932405

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 94.8 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 2
重原子: 27
形式电荷: 0
复杂度: 754

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 36 条

6-.alpha.-Methylprednisolone11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneMedrol dosepakMedrol adt pak6a-methylprednisoloneMEPRDLPrednisolone, methyl-Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-MLS002638721Prednisolone, 6.alpha.-methyl-UrbazoneM-PrednisolMFCD00010591.DELTA.1-6.alpha.-Methylhydrocortisone6a_MethylprednisoloneU 753211,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dioneSCHEMBL541256CHEMBL190259VHRSUDSXCMQTMA-UHFFFAOYSA-N

REACTIONS

相关反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Test 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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