3,7-Dihydroxy-12-oxocholanoic acid

Base Information

Chemical Name:3,7-Dihydroxy-12-oxocholanoic acid
CAS No.:2458-08-4
Molecular Formula:C24H38 O5
Molecular Weight:406.563
Hs Code.:
European Community (EC) Number:219-542-6
UNII:3MKE33N44O
DSSTox Substance ID:DTXSID601334921
Nikkaji Number:J216.097H
Wikidata:Q27101844
Metabolomics Workbench ID:36417
Mol file:2458-08-4.mol

Synonyms:12-ketochenodeoxycholic acid;12-monoketocholate;12-monoketocholic acid;12-oxo-3,7-dihydroxycholanoic acid;12-oxochenodeoxycholate;12-oxochenodeoxycholic acid;3 alpha, 7 alpha-dihydroxy-12-one-5 beta-cholanoic acid;3 alpha,7 alpha-dihydroxy-12-keto-5 beta-cholanoic acid;3,7-dihydroxy-12-oxocholanoic acid;3alpha,7alpha-dihydroxy-12-keto-5beta-cholanoic acid;sodium monoketocholate

Suppliers and Price of 3,7-Dihydroxy-12-oxocholanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
KETOCHOLANIC ACID 95.00%
5MG
$ 459.63

Total 32 raw suppliers

Chemical Property of 3,7-Dihydroxy-12-oxocholanoic acid

Chemical Property:

Vapor Pressure:0Pa at 20℃
Boiling Point:583°Cat760mmHg
PKA:5[at 20 ℃]
Flash Point:320.4°C
PSA：94.83000
Density:1.18g/cm³
LogP:3.65690
Water Solubility.:4.698mg/L at 25℃
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:406.27192431
Heavy Atom Count:29
Complexity:676

Purity/Quality:

99.9% ^*data from raw suppliers

KETOCHOLANIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Technology Process of 3,7-Dihydroxy-12-oxocholanoic acid

There total 19 articles about 3,7-Dihydroxy-12-oxocholanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 361-09-1
sodium cholate

: 2458-08-4
3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Guidance literature:: 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;
DOI:10.1016/j.steroids.2008.06.013

Reference yield: 92.0%

: 81-25-4
cholic acid

: 2458-08-4
3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

Guidance literature:: 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; Reagent/catalyst; Concentration; pH-value; Temperature; Catalytic behavior; Kinetics; Flow reactor; Enzymatic reaction;
DOI:10.1002/adsc.201900144