(4R)-4-[(3S,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-[(3S,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 Structure
CAS No.
2276-93-9
Chemical Name:
(4R)-4-[(3S,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
Isoallolithocholic acid;Alloisolithocholic Acid;5α-CHOLANIC ACID-3β-OL;EPIALLOLITHOCHOLIC ACID;5a-CHOLANIC ACID-3-β-OL;5a-Cholanic Acid-3-ol-d2;5α-Cholanic Acid-3β-ol D2;Cholan-24-oic acid, 3-hydroxy-, (3β,5α)-;Isoallolithocholic Acid (5-alfa-Cholanic Acid-3-beta-ol);Alloisolithocholic Acid|||AILCA|||3β-Hydroxy-5α-cholanic acid
CBNumber:
CB31236030
Molecular Formula:
C24H40O3
Molecular Weight:
376.57
MOL File:
2276-93-9.mol
Modify Date:
2023/7/14 17:31:28

(4R)-4-[(3S,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 Properties

Melting point >170°C (dec.)
Boiling point 511.0±23.0 °C(Predicted)
Density 1.073±0.06 g/cm3(Predicted)
storage temp. -20°C, Inert atmosphere
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form Solid
pka 4.76±0.10(Predicted)
color White to Off-White

(4R)-4-[(3S,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,Uses,Production

Uses

Isoallolithocholic Acid is used as a steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.

(4R)-4-[(3S,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

(4R)-4-[(3S,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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5a-Cholanic Acid-3-ol-d2 Isoallolithocholic Acid (5-alfa-Cholanic Acid-3-beta-ol) (R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 5a-CHOLANIC ACID-3-β-OL 5α-Cholanic Acid-3β-ol D2 Isoallolithocholic acid Alloisolithocholic Acid EPIALLOLITHOCHOLIC ACID Cholan-24-oic acid, 3-hydroxy-, (3β,5α)- 5α-CHOLANIC ACID-3β-OL Alloisolithocholic Acid|||AILCA|||3β-Hydroxy-5α-cholanic acid 2276-93-9