Ox bile extract
Grundinformationen
- Standard-SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C- InChIKey
BHQCQFFYRZLCQQ-UHFFFAOYSA-N- Summenformel
- C24H40O5
- Durchschnittliche Molmasse
- 408,6 g/mol
- Monoisotopische Masse
- 408,28757437
Namen und Bezeichner
- Bevorzugter Name
- Ox bile extract
- IUPAC
- 4-(3,7,12-trihydroxy-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-(3,7,12-trihydroxy-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 acid4-(3,7,12-trihydroxy-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 acidRefChem:8570023,7,12-Trihydroxycholan-24-oic acidcholan-24-oic acid, 3,7,12-trihydroxy-Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-CholeinsaureNSC6579473,7,12-Trihydroxy-cholan-24-oic acidBile salt from porcineCholic acidfrom ox bile12?-Hydroxyisocholic acid
Weitere Namen anzeigen
3?,5?-Cholic acid-d5Oprea1_3881723.alpha.,7.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acidMLS001240272SCHEMBL171402BHQCQFFYRZLCQQ-UHFFFAOYSA-NDTXSID201334862HMS1678A18
Datenbank-Bezeichner
- PubChem CID
- 303
- DTXSID
DTXSID201334862
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 637
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…