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(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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

(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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:
(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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:
  • Isochenodeoxycholic Acid/3?,7α-dihydroxy-5?-cholan-24-oic acid
  • Ursodiol Impurity 1
  • Ursodeoxycholic acid EP Impurity K
  • (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
  • 3b,7a-Dihydroxy-5b-cholanoic acid
  • 3-epi-Chenodeoxycholic acid
  • Isochenodeoxycholic acid
  • 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid
CAS:
566-24-5
MF:
C24H40O4
MW:
392.57
Mol File:
566-24-5.mol
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(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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:
>190°C (dec.)
Boiling point:
547.1±25.0 °C(Predicted)
Density 
1.128±0.06 g/cm3(Predicted)
storage temp. 
-20°C Freezer
solubility 
Acetonitrile (Slightly, Heated), Methanol (Slightly)
pka
4.76±0.10(Predicted)
form 
Solid
color 
White to Off-White
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(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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

Uses

Isochenodeoxycholic Acid is an epimer of common bile acid Chenodeoxycholic Acid (C291900), present in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate.

Definition

ChEBI: A dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 7alpha. The 3beta-hydroxy epimer of chenodeoxycholic acid.

(4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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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