ChemicalBook > CAS DataBase List > (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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

(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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

Product Name
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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
CAS No.
2276-94-0
Chemical Name
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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
Synonyms
p-Toluic acid-d;5α-CHOLANIC ACID-3α-OL;5α-CHOLANIC ACID-3α-OL;Allocholic Acid Impurity 2;Allolithocholic acid (ALCA);Cholan-24-oic acid,3-hydroxy-, (3a,5a)-;Cholan-24-oic acid, 3-hydroxy-, (3α,5α)-;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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
CBNumber
CB61235685
Molecular Formula
C24H40O3
Formula Weight
376.58
MOL File
2276-94-0.mol
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(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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 Property

Melting point:
204-208 °C
Boiling point:
511.0±23.0 °C(Predicted)
Density 
1.073±0.06 g/cm3(Predicted)
storage temp. 
-20°C (-15°C to -25°C)
solubility 
DMSO: Slightly soluble; Ethanol: Slightly soluble; Methanol: Slightly soluble
form 
A solid
pka
4.76±0.10(Predicted)
color 
White to off-white
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Hazard and Precautionary Statements (GHS)

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(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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 Chemical Properties,Usage,Production

Uses

Allolithocholic acid is used as steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.

Definition

ChEBI: Allolithocholic acid is a bile acid.

(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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 Preparation Products And Raw materials

Raw materials

Preparation Products

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(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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 Suppliers

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2276-94-0, (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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 acidRelated Search:


  • (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-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
  • 5α-CHOLANIC ACID-3α-OL
  • Allocholic Acid Impurity 2
  • Cholan-24-oic acid, 3-hydroxy-, (3α,5α)-
  • Allolithocholic acid (ALCA)
  • 5α-CHOLANIC ACID-3α-OL
  • Cholan-24-oic acid,3-hydroxy-, (3a,5a)-
  • p-Toluic acid-d
  • 2276-94-0