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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

Basic information Safety Supplier Related

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 Basic information

Product 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
Synonyms:
  • 7-Epicholic Acid
  • 7β-Hydroxyisocholic 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
  • Ursocholic acid
  • (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
  • Ursocholate
  • Ursodeoxycholic Acid EP Impurity D
  • Chenodeoxycholic Acid EP Impurity D
CAS:
2955-27-3
MF:
C24H40O5
MW:
408.58
EINECS:
200-258-5
Product Categories:
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Steroids
Mol File:
2955-27-3.mol
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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 Chemical Properties

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)
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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 Usage And Synthesis

Chemical Properties

White to Off-White Solid

Uses

Ursocholic Acid (Ursodeoxycholic Acid EP Impurity D) is an Ursodeoxycholic Acid (U850000) impurity.

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.

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 acidSupplier

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