(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

(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 Structure
CAS No.
78919-26-3
Chemical 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
IsoUDCA; Ursodiol Impurity H;isoursodeoxycholicaci;3β-Ursodeoxycholic Acid;Isoursodeoxycholic acid;3β-Ursodeoxycholic Acid;3-epi-Ursodeoxycholic acid;3-Beta-Ursodeoxycholic Acid;Ursodeoxycholic Acid Impurity H;Ursodeoxycholic Acid EP Impurity H
CBNumber:
CB01236039
Molecular Formula:
C24H40O4
Molecular Weight:
392.57
MOL File:
78919-26-3.mol
MSDS File:
SDS
Modify Date:
2023/6/8 9:03:09

(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 Properties

Melting point 184 - 186°C
Boiling point 547.1±25.0 °C(Predicted)
Density 1.128±0.06 g/cm3(Predicted)
storage temp. Refrigerator
solubility DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly, Heated)
pka 4.76±0.10(Predicted)
form Solid
color White to Off-White

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P321-P305+P351+P338-P332+P313-P362+P364-P337+P313
NFPA 704
0
2 0

(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 Chemical Properties,Uses,Production

Chemical Properties

White Solid

Uses

Isoursodeoxycholic acid 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.

(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 Preparation Products And Raw materials

Raw materials

Preparation Products

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(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 Ursodeoxycholic Acid Impurity 8(Ursodeoxycholic Acid EP Impurity H) Ursodiol Impurity H Ursodeoxycholic Acid EP Impurity H/3β-Ursodeoxycholic Acid/Isoursodeoxycholic Acid/(3β,5β,7β)-3,7-Dihydroxycholan-24-oic Acid Ursodeoxycholic Acid EP Impurity H(Isoursodeoxycholic Acid) Cholan-24-oic acid,3,7-dihydroxy-, (3b,5b,7b)- 3-Beta-Ursodeoxycholic Acid 3β-Ursodeoxycholic Acid Ursodeoxycholic Acid EP Impurity H,3β,7β-dihydroxy-5β-cholan-24-oic acid 3βUrsodeoxycholic acid,3β Ursodeoxycholic acid Urosodeoxycholic Acid EP Impurity H isoursodeoxycholicaci Ursodeoxycholic Acid Impurity H (R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 78919-26-3 Intermediates & Fine Chemicals Pharmaceuticals Steroids