566-17-6

Basic information

• Product Name: 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL
• Synonyms: PHOENO-DEOXYCHOLIC ACID;ISODEOXYCHOLIC ACID;7ALPHA, 12ALPHA-DIHYDROXY-5BETA-CHOLANIC ACID;5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL;(4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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 NO: 566-17-6
• Molecular Formula: C24H40O4
• Molecular Weight: 392.57
• Mol File: 566-17-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 210 °C
• Boiling Point: 547.1 °C at 760 mmHg
• Flash Point: 298.8 °C
• Appearance: /
• Density: 1.128 g/cm³
• Vapor Pressure: 2.98E-14mmHg at 25°C
• Refractive Index: 1.543
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.76±0.10(Predicted)
• CAS DataBase Reference: 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL(566-17-6)
• EPA Substance Registry System: 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL(566-17-6)

Safety Data

• Hazardous Substances Data: 566-17-6(Hazardous Substances Data)

Usage

Uses

Isodeoxycholic Acid is used for comprehensive bile acid profiling in hereditary intrahepatic cholestasis.

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

• 107648-23-7 7β-hydroxy-12-oxo-5α-cholanic acid 
• 107668-90-6 methyl 7β-hydoxy-12-oxo-5α-cholanate 
• 15073-95-7 7,12-dioxo-5α-cholan-24-oic acid methyl ester 
• 102399-63-3 7,12-dioxo-chola-3,5-dien-24-oic acid methyl ester 
• 4947-65-3 methyl 3-keto-7,12-diacetylcholate 
• 14772-99-7 3-oxo cholic acid methyl ester 
• 21059-35-8 7,12-dioxo-5β-cholan-24-oic acid 
• 84325-08-6 7-oxo-12α-hydroxy-5β-cholan-24-oic acid 
• 3701-54-0 methyl 7α,12a-dihydroxy-5β-cholan-24-oate 
• 64-19-7 acetic acid 
• 2304-89-4 7α,12α-dihydroxy-3-oxocholanoic acid 
• 81-25-4 cholic acid 
• 69889-89-0 methyl 7,12-diacetoxycholate 
• 1448-36-8 methyl cholate 

Downstream Products

• 84413-81-0 7β,12α-dihydroxy-5β-cholan-24-oic acid 

Relevant articles and documents

7β,12β-dihydroxy-5β-cholan-24-oic acid as an internal standard for quantitative determination of bile acids by gas chromatography

In order to find an artificial internal standard compound for quantitative determination of bile acids by gas chromatography, 7α,12α-, 7α,12β-, 7β,12α- and 7β,12β-dihydroxy-5β-cholan-24-oic acids were chemically synthesized with cholic acid as the first starting material. The gas chromatographic retention time of 7β,12β-dihydroxy-5β-cholan-24-oic acid (ββ-isomer) was more different from that of natural bile acids than the other isomers. Moverover, ββ-isomer was extracted in the same fraction as the bile acids from urine, and no urinary substance had the same retention time as ββ-isomer. No artifact was produced from ββ-isomer during the analysis procedure. It was concluded that the ββ-isomer is an internal standard compound with certain advantages for the quantitative determination of bile acids in urine by gas chromatography, irrespective of the recovery rate during the analysis procedure.

DARSTELLUNG VON CHOLSAEURELACTONEN

The 8-membered cyclic 24,12-lactones of cholic- and deoxycholic acid, previously prepared only in poor yield are easily synthesized by the reaction of the appropriate acids with arylsulfonylchloride in pyridine.Chenodeoxycholic acid is converted into a di

The action of triphenylphosphine dibromide on sterol and bile acid derivatives.

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