HCID11175416

(7alpha,20S)-7,21-Dihydroxy-20-methylpregn-4-en-3-one

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

C22H34O3346.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: KHAASJIVTYLGID-YHPPHIJISA-N
分子式: C22H34O3
平均分子量: 346.5 g/mol
单同位素质量: 346.25079494

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 25
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 6 条

77530-51-9(7alpha,20S)-7,21-Dihydroxy-20-methylpregn-4-en-3-oneSCHEMBL4658621KHAASJIVTYLGID-YHPPHIJISA-N(20s)-7alpha,21-dihydroxy-20-methylpregn-4-en-3-one(20s)-7alpha,21-dihydroxy-20-methyl-pregn-4-en-3-one

REACTIONS

参与反应

1 条

uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07153988B2

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