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2458-08-4

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CAS No.: 2458-08-4
Name: 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid
Article Data: 24
Molecular Structure:
Molecular Structure of 2458-08-4 (3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid)
Formula: C24H38 O5
Molecular Weight: 406.563
Synonyms: 5b-Cholan-24-oic acid, 3a,7a-dihydroxy-12-oxo- (8CI); 5b-Cholanic acid, 3a,7a-dihydroxy-12-oxo- (7CI); 12-Keto-3a,7a-dihydroxy-5b-cholanicacid; 12-Ketochenodeoxycholic acid; 12-Oxo-3a,7a-dihydroxy-5b-cholan-24-oicacid; 12-Oxochenodeoxycholic acid; 12-keto-Chenodeoxycholic acid; 3a,7a-Dihydroxy-12-keto-5b-cholanic acid; 3a,7a-Dihydroxy-12-ketocholanic acid; 3a,7a-Dihydroxy-12-ketocholic acid; 3a,7a-Dihydroxy-12-oxo-5b-cholan-24-oic acid; 3a,7a-Dihydroxy-12-oxo-5b-cholanic acid; 3a,7a-Dihydroxy-12-oxo-5b-cholanoic acid; 3a,7a-Dihydroxy-12-oxocholic acid; 5b-Cholanic acid-3a,7a-diol-12-one
Density: 1.18g/cm3
Boiling Point: 583°Cat760mmHg
Flash Point: 320.4°C
Solubility: 4.698mg/L at 25℃
PSA: 94.83000
LogP: 3.65690
Related products
Synthetic route
361-09-1

sodium cholate

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With ethylenediaminetetraacetic acid; Acinetobacter calcoaceticus lwoffii 12α-hydroxysteroid dehydrogenase; sodium pyruvate; NAD; 2-hydroxyethanethiol; lactate dehydrogenase In aq. phosphate buffer at 22℃; pH=8.5; Enzymatic reaction;98%
81-25-4

cholic acid

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With NAD(P)H oxidase; nicotinamide adenine dinucleotide-dependent HSDH from Eggerthella lenta; NAD; oxygen In methanol; aq. phosphate buffer at 21℃; for 24h; pH=8; Catalytic behavior; Kinetics; Reagent/catalyst; Concentration; pH-value; Temperature; Flow reactor; Enzymatic reaction;92%
With ammonium acetate; potassium phosphate; sodium azide; diothiothreitol for 48h; Ambient temperature; NADP, α-ketoglutarate, 12α-hydroxysteroid dehydrogenase, glutamate dehydrogenase; pH 8;85%
With sodium pyruvate; NAD In aq. phosphate buffer at 30℃; for 1h; pH=8; Kinetics; Enzymatic reaction;85%
176108-12-6

3α,7α-dihydroxy-12-oxo-5β-cholan-24-amide

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With potassium hydroxide In methanol for 8h; Heating;90%

methyl 3α,7α-diacetoxy-12-hydroxycholanate

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
Stage #1: methyl 3α,7α-diacetoxy-12-hydroxycholanate With jones' reagent In acetone at 20℃; for 0.166667h;
Stage #2: With sodium hydroxide In 1,4-dioxane for 6h; Heating; Further stages.;		87%

3,7-diketocholic acid sodium salt

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With phosphate buffer; 3α-HSDH from Pseudomonas paucimobilis; NAD; iso-butanol In water at 22℃; for 48h;80%
28535-81-1

methyl 3α,7α-diacetoxy-12-one-5β-cholest-24-carboxylate

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With water; sodium hydroxide In methanol at 25 - 40℃; for 5h;62.7%
With potassium hydroxide
With sodium hydroxide
Alkaline conditions;
81-23-2

dehydrocholic acid

A

2304-89-4

7α,12α-dihydroxy-3-oxocholanoic acid

B

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

C

911-40-0

7-ketodeoxycholic acid

Conditions
ConditionsYield
With sodium tetrahydroborate; sodium hydrogencarbonate at 0℃; for 24h;A 4 % Chromat.
B 62%
C 8 % Chromat.
...Expand
81-25-4

cholic acid

A

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

B

911-40-0

7-ketodeoxycholic acid

C

517-33-9

7,12-dioxolitocholic acid

D

81-23-2

dehydrocholic acid

Conditions
ConditionsYield
With sodium hydroxide; sodium perchlorate; sodium chloride In water at 25℃; for 6h; pH=12; Product distribution; Further Variations:; electricity; Electrochemical reaction; 200 mA;A 10%
B 33%
C 46%
D 11%
...Expand
81-23-2

dehydrocholic acid

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With acetic acid; platinum Hydrogenation;
81-23-2

dehydrocholic acid

64-19-7

acetic acid

platinum

platinum

hydrogen (2 mol)

hydrogen (2 mol)

2458-08-4

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Conditions
ConditionsYield
Hydrogenation;
...Expand
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