3a,7b,12b-Trihydroxy-5b-cholanoic acid

Base Information

Chemical Name:3a,7b,12b-Trihydroxy-5b-cholanoic acid
CAS No.:81938-67-2
Molecular Formula:C24H40 O5
Molecular Weight:408.579
Hs Code.:
DSSTox Substance ID:DTXSID001228368
Nikkaji Number:J363.685B
Wikidata:Q63392092
Metabolomics Workbench ID:36330
Mol file:81938-67-2.mol

Synonyms:81938-67-2;3a,7b,12b-Trihydroxy-5b-cholanoic acid;3alpha,7beta,12beta-Trihydroxy-5beta-cholan-24-oic Acid;3alpha,7beta,12beta-Trihydroxy-5beta-cholanoic Acid;(4R)-4-[(3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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;CHEBI:175280;DTXSID001228368;3a,7b,12b-Trihydroxy-5b-cholanate;LMST04010089;3a,7b,12b-Trihydroxy-5b-cholanoate;3a,7b,12b-Trihydroxy-5b-cholanic acid;Q63392092;(3a,5b,7b,12b)-3,7,12-Trihydroxy-cholan-24-oic acid;(3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid

Suppliers and Price of 3a,7b,12b-Trihydroxy-5b-cholanoic 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

TRC
3α,7β,12β-Trihydroxy-5β-cholanoicAcid
1mg
$ 165.00

Total 0 raw suppliers

Chemical Property of 3a,7b,12b-Trihydroxy-5b-cholanoic acid

Chemical Property:

PSA：97.99000
LogP:3.44870
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:408.28757437
Heavy Atom Count:29
Complexity:637

Purity/Quality:: 3α,7β,12β-Trihydroxy-5β-cholanoicAcid ^*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(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Uses 3α,7β,12β-Trihydroxy-5β-cholanoic Acid is a potential bile acid metabolite.

Technology Process of 3a,7b,12b-Trihydroxy-5b-cholanoic acid

There total 1 articles about 3a,7b,12b-Trihydroxy-5b-cholanoic 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:

: 911-40-0
7-ketodeoxycholic acid

: 81938-67-2
3α,7β,12β-trihydroxy-5β-cholanic acid

Guidance literature:: With formate dehydrogenase from Candida boidinii; ammonium formate; Sc7β-hydroxysteroid dehydrogenase from Stanieria cyanosphaera; NADH; In aq. phosphate buffer; at 25 ℃; for 24h; pH=8.0; Reagent/catalyst; Enzymatic reaction;
DOI:10.1002/adsc.202000120