7alpha-Hydroxy-5beta-cholan-24-oic Acid

Base Information Edit

Chemical Name:7alpha-Hydroxy-5beta-cholan-24-oic Acid
CAS No.:28083-34-3
Molecular Formula:C₂₄H₄₀O₃
Molecular Weight:376.58
Hs Code.:
Nikkaji Number:J363.672K
Wikidata:Q27143846
Metabolomics Workbench ID:36253
ChEMBL ID:CHEMBL270311
Mol file:28083-34-3.mol

Synonyms:7alpha-Hydroxy-5beta-cholan-24-oic Acid;7alpha-hydroxy-5beta-cholanic acid;3-deoxychenodeoxycholic acid;CHEMBL270311;28083-34-3;CHEBI:73676;(4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-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;3-deoxyCDCA;3-deoxy-CDCA;7a-hydroxy-5b-cholanate;7a-hydroxy-5b-cholanoate;7a-Hydroxy-5b-cholanic acid;7a-hydroxy-5b-cholanoic acid;7a-hydroxy-5b-cholan-24-oate;SCHEMBL10074118;7a-hydroxy-5b-cholan-24-oic acid;BDBM50375577;LMST04010011;(5beta,7alpha)-7-hydroxycholan-24-oic acid;Q27143846

Suppliers and Price of 7alpha-Hydroxy-5beta-cholan-24-oic Acid

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 7alpha-Hydroxy-5beta-cholan-24-oic Acid Edit

Chemical Property:

Vapor Pressure:1.38E-12mmHg at 25°C
Refractive Index:1.528
Boiling Point:511.1°C at 760 mmHg
PKA:4.76±0.10(Predicted)
Flash Point:277°C
PSA：57.53000
Density:1.073g/cm³
LogP:5.50710
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:376.29774513
Heavy Atom Count:27
Complexity:574

Purity/Quality:: 99%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCCC4)C)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)C

Technology Process of 7alpha-Hydroxy-5beta-cholan-24-oic Acid

There total 19 articles about 7alpha-Hydroxy-5beta-cholan-24-oic 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: 100.0%

: 28050-19-3
methyl 7α-hydroxy-5β-cholan-24-oate

: 28083-34-3
7α-hydroxy-5β-cholanoic acid

Guidance literature:: With sodium hydroxide; In methanol; water; Reflux;
DOI:10.1021/jm501273r

Reference yield:

: 4185-00-6
Dehydrochenodeoxycholic acid

: 28083-34-3
7α-hydroxy-5β-cholanoic acid

Guidance literature:: With 85percent KOH; 80percent hydrazinium hydroxide; In 2-methoxy-ethanol; water; at 110 - 135 ℃; for 12h;
DOI:10.1021/jo020146b