78919-26-3

Basic information

• Product Name: (4R)-4-[(3S,5S,7S,8S,9S,10R,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: (4R)-4-[(3S,5S,7S,8S,9S,10R,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;Isoursodeoxycholic acid;3-epi-Ursodeoxycholic acid;IsoUDCA;3β-Ursodeoxycholic Acid;Ursodeoxycholic Acid EP Impurity H
• CAS NO: 78919-26-3
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.57
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Steroids
• Mol File: 78919-26-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 547.1°C at 760 mmHg
• Flash Point: 298.8°C
• Appearance: /
• Density: 1.128g/cm³
• Vapor Pressure: 2.98E-14mmHg at 25°C
• Refractive Index: 1.543
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Heated)
• PKA: 4.76±0.10(Predicted)
• CAS DataBase Reference: (4R)-4-[(3S,5S,7S,8S,9S,10R,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(CAS DataBase Reference)
• NIST Chemistry Reference: (4R)-4-[(3S,5S,7S,8S,9S,10R,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(78919-26-3)
• EPA Substance Registry System: (4R)-4-[(3S,5S,7S,8S,9S,10R,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(78919-26-3)

Safety Data

• Hazardous Substances Data: 78919-26-3(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Different sources of media describe the Uses of 78919-26-3 differently. You can refer to the following data:
1. Isoursodeoxycholic acid is used as an anticholelithogenic.
2. 3β-Ursodeoxycholic Acid (Ursodeoxycholic Acid EP Impurity H) is used as an anticholelithogenic.

Definition

ChEBI: A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy groups at positions 3 and 7.

InChI:InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1

Upstream product

• 2646-38-0 3,7-dihydroxycholan-24-oic acid, monosodium salt 

Downstream Products

• 88165-77-9 bis(3α-phenylsulfonyloxy-5β-cholansaeure-7α-yl)diester 
• 92054-20-1 5β-cholanic acid-3α,7α-diol di-p-fluorobenzoate 
• 73465-45-9 methyl 3β,7β-dihydroxy-5β-cholan-24-oate 

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