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ChemicalBook--->CAS DataBase List--->2955-27-3

2955-27-3

2955-27-3 Structure

2955-27-3 Structure
IdentificationBack Directory
[Name]

4-[(5S,7S,8S,10S,13R,17R)-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
[CAS]

2955-27-3
[Synonyms]

Ursocholate
Ursocholic acid
7-Epicholic Acid
Ursodiol Impurity D
7β-Hydroxyisocholic Acid
Chenodeoxycholic Acid Impurity 4
Ursodeoxycholic Acid EP Impurity D
Chenodeoxycholic Acid EP Impurity D
Cholan-24-oic acid,3,7,12-trihydroxy-, (3a,5b,7b,12a)-
Ursodeoxycholic Acid Impurity 4(Ursodeoxycholic Acid EP Impurity D)
Ursocholic Acid (Chenodeoxycholic Acid EP Impurity D, Ursodeoxycholic Acid EP Impurity D)
(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
4-[(5S,7S,8S,10S,13R,17R)-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
4-[(5S,7S,8S,10S,13R,17R)-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 USP/EP/BP
Ursodeoxycholic Acid EP Impurity D/Ursocholic Acid/(R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C24H40O5
[MDL Number]

MFCD25563269
[MOL File]

2955-27-3.mol
[Molecular Weight]

408.58
Chemical PropertiesBack Directory
[Melting point ]

144 °C
[Boiling point ]

489.08°C (rough estimate)
[density ]

1.0263 (rough estimate)
[refractive index ]

1.5400 (estimate)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

White to Pale Beige
[Water Solubility ]

682.3mg/L(25 ºC)
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

Ursodeoxycholic acid (U850000) impurity.
[Definition]

ChEBI: Ursocholic acid is a bile acid that is 5beta-cholan-24-oic acid bearing three hydroxy substituents at positions 3alpha, 7beta and 12alpha. It has a role as a human urinary metabolite and an EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor. It is a bile acid, a 3alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a C24-steroid, a trihydroxy-5beta-cholanic acid and a 7beta-hydroxy steroid. It is a conjugate acid of an ursocholate.
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