Grundinformationen
- Standard-SMILES
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C- InChIKey
SMEROWZSTRWXGI-UHFFFAOYSA-N- Summenformel
- C24H40O3
- Durchschnittliche Molmasse
- 376,6 g/mol
- Monoisotopische Masse
- 376,29774514
Überblick
3-Hydroxycholan-24-oic acid has been reported in Homo sapiens with data available.
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
516-73-4- PubChem CID
- 500165
- DTXSID
DTXSID70859365
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,3
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 574
Zugehörige Reaktionen
6
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