基本情報
- CAS
5419-48-7- 標準SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
KYLCHXHHSBPYCB-GECNCUIPSA-N- 分子式
- C20H28O3
- 平均分子量
- 316.4 g/mol
- 単同位体質量
- 316.20384475
概要
17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione is a 3-hydroxy steroid. It has a role as an androgen.
名称と識別子
- 優先名称
- Androst-4-ene-3,11-dione, 17-hydroxy-17-methyl-, (17beta)-
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
名称と別名
5419-48-7U-44070WN7771B1H17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione17beta-Hydroxy-17alpha-methylandrost-4-en-3,11-dioneNSC 9722BRN 3158705NSC-9722Androst-4-ene-3,11-dione, 17-hydroxy-17-methyl-, (17beta)-17beta-Hydroxy-17-methyl-4-androstene-3,11-dione17-beta-Hydroxy-17-methyl-4-androstene-3,11-dioneAndrost-4-ene-3,11-dione, 17beta-hydroxy-17-methyl-
名称をさらに表示
ANDROST-4-ENE-3,11-DIONE, 17-beta-HYDROXY-17-METHYL-Androst-4-ene-3,11-dione, 17-hydroxy-17-methyl-, (17.beta.)-UNII-0WN7771B1HCHEBI:34181Androst-4-ene-3,11-dione, 17-hydroxy-17-methyl-, (17-beta)-(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dioneQ2711587817.BETA.-HYDROXY-17-METHYLANDROST-4-ENE-3,11-DIONE
データベース識別子
- CAS
5419-48-7- PubChem CID
- 21530
- ChEBI
CHEBI:34181- UNII
- 0WN7771B1H
- Nikkaji
- J543.810A
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 54.4 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
- 620
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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