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

HCID 500165CAS 516-73-4

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

関連反応

6 件

関連ノート

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