3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid

Base Information

Chemical Name:3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid
CAS No.:82583-52-6
Molecular Formula:C₂₉H₄₈O₇
Molecular Weight:508.696
Hs Code.:
Metabolomics Workbench ID:36901
Mol file:82583-52-6.mol

Synonyms:3 alpha,7 alpha, 12 alpha-trihydroxy-27a,27b-dihomo-5 beta-cholestane-26,27b-dioic acid;3 alpha,7 alpha,12-alpha-trihydroxy-27-carboxymethyl-5 beta-cholestan-26-oic acid;3,7,12-trihydroxy-27-carboxymethylcholestan-26-oic acid;THCMCA

Suppliers and Price of 3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic 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

Total 3 raw suppliers

Chemical Property of 3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid

Chemical Property:

Vapor Pressure:2.52E-21mmHg at 25°C
Boiling Point:678.5°Cat760mmHg
Flash Point:378.1°C
PSA：135.29000
Density:1.204g/cm³
LogP:4.31980
XLogP3:4.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:508.34000387
Heavy Atom Count:36
Complexity:815

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCCC(CCC(=O)O)C(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES:C[C@H](CCCC(CCC(=O)O)C(=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

Technology Process of 3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid

There total 7 articles about 3alpha,7alpha,12alpha-Trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic 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:

: 3α,7α,12α-trihydroxy-27-carboxymethyl-5β-cholest-24-en-26-oic acid

: 82583-52-6
3α,7α,12α-trihydroxy-27-carboxymethyl-5β-cholestan-26-oic acid

Guidance literature:: With hydrogen; platinum(IV) oxide; In acetic acid; for 3h; under 2250.2 Torr;
DOI:10.1016/0039-128X(93)90037-N

Reference yield:

: ethyl 3α,7α,12α-triformyloxy-27-carboethoxymethyl-5β-cholest-24-en-26-oate

: 82583-52-6
3α,7α,12α-trihydroxy-27-carboxymethyl-5β-cholestan-26-oic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 3.2 g / 5percent KOH / methanol / 3 h / Heating

2: H₂ / PtO₂ / acetic acid / 3 h / 2250.2 Torr

With potassium hydroxide; hydrogen; platinum(IV) oxide; In methanol; acetic acid;
DOI:10.1016/0039-128X(93)90037-N