基本情報
- 標準SMILES
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C- InChIKey
SMEROWZSTRWXGI-UHFFFAOYSA-N- 分子式
- C24H40O3
- 平均分子量
- 376.6 g/mol
- 単同位体質量
- 376.29774514
概要
3-Hydroxycholan-24-oic acid has been reported in Homo sapiens with data available.
名称と識別子
- 優先名称
- 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- IUPAC
- 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
名称と別名
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid516-73-43|A-Hydroxy-5|A-cholanic acidLithocholic?AcidCholan-24-oic acid, 3-hydroxy-, (3.alpha.,5.beta.)-Oprea1_806275SCHEMBL75701DTXSID708593653I<<-Hydroxy-5EC-cholanic acidHMS5082B15CAA27694Urosodeoxycholic Acid EP Impurity T
名称をさらに表示
s40034-{7-Hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acidFH179942LS-15076Isolithocholic acid (beta-Lithocholic acid)?L0008204a{7aHydroxya9a,11aadimethylahexadecahydroa1Ha cyclopenta[a]phenanthrena1ayl}pentanoic acid
データベース識別子
- CAS
516-73-4- PubChem CID
- 500165
- DTXSID
DTXSID70859365
物性
構造計算による物性
- XLogP
- 6.3
- 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
- 4
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 574
関連反応
6 件
関連ノート
読み込み中…