基本情報
- 標準SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C#N- InChIKey
JYCSLUASXDFIEL-UHFFFAOYSA-N- 分子式
- C20H27NO2
- 平均分子量
- 313.4 g/mol
名称と識別子
- 優先名称
- 17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
- IUPAC
- 17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
名称と別名
17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile(17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrilePreg-4-en-3-one, 17alpha-hydroxy-17beta-cyano-Preg-4-en-3-one, 17.alpha.-hydroxy-17.beta.-cyano-JYCSLUASXDFIEL-UHFFFAOYSA-NAKOS025247966VS-1219917-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile #17Alpha-17-hydroxy-3-oxoandrost-4-ene-17-carbonitrile1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carbonitrileEINECS 278-780-9, (17alpha)-17-Hydroxy-3-oxoandrost-4-ene-17-carbonitrile, 77881-13-1
データベース識別子
- PubChem CID
- 534560
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 61.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 643
関連反応
2 件
化合物ノート
読み込み中…