基本情報
- CAS
566-52-9- 標準SMILES
C[C@]12C[C@@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
OKOKLFXLKDXQOK-VDBAHQDGSA-N- 分子式
- C20H32O3
- 平均分子量
- 320.5 g/mol
- 単同位体質量
- 320.23514488
概要
17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is a 3-oxo-5alpha-steroid.
名称と識別子
- 優先名称
- 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
- IUPAC
- (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
名称と別名
566-52-917beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-oneNSC54341(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneNIOSH/BV8058700NSC-54341BV805870002-alpha-Hydroxymethyl-17-beta-hydroxyandrostan-3-one17-beta-Hydroxy-2-alpha-(hydroxymethyl)androstan-3-oneAndrostan-3-one, 17-beta-hydroxy-2-alpha-(hydroxymethyl)-NSC 543412-alpha-Hydroxymethyl-17-beta-hydroxy-5-alpha-androstan-3-one
名称をさらに表示
5-alpha-ANDROSTAN-3-ONE, 2-alpha-(HYDROXYMETHYL)-17-beta-HYDROXY-QU7U82B6FRCHEBI:79557DTXSID2097203817-Hydroxy-2-(hydroxymethyl)androstan-3-oneQ271486705alpha-Androstan-3-one, 17beta-hydroxy-2alpha-(hydroxymethyl)-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one, 17beta-
データベース識別子
- CAS
566-52-9- PubChem CID
- 11274
- DTXSID
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 57.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 503
関連反応
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