5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester

Base Information

Chemical Name:5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester
CAS No.:2616-79-7
Molecular Formula:C₂₇H₄₂O₅
Molecular Weight:446.627
Hs Code.:
DSSTox Substance ID:DTXSID50585099
Nikkaji Number:J3.648.220F
Wikidata:Q82476911
Mol file:2616-79-7.mol

Synonyms:2616-79-7;5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester;3-ALPHA-HYDROXY-6-OXO-5-ALPHA-CHOLAN-24-OIC ACID METHYL ESTER 3-ACETATE;SCHEMBL14771067;DTXSID50585099;MFCD00056455;NCGC00485011-01;Methyl 3alpha-acetoxy-6-oxo-5alpha-cholanate;J-016293;Methyl (3alpha,5alpha)-3-(acetyloxy)-6-oxocholan-24-oate;5 alpha -Cholanic acid-3 alpha -ol-6-one 3-acetate methyl ester;5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester, ~97%;3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid methyl ester 3-acetate;methyl (4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Suppliers and Price of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester

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

Sigma-Aldrich
5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester ~97%
500mg
$ 277.00

American Custom Chemicals Corporation
5-ALPHA-CHOLANIC ACID-3-ALPHA-OL-6-ONE-3-ACETATE METHYL ESTER 95.00%
500MG
$ 839.22

AHH
5alpha-Cholanicacid-3alpha-ol-6-one3-acetatemethylester 98%
5g
$ 738.00

Total 8 raw suppliers

Chemical Property of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester

Chemical Property:

Vapor Pressure:8.68E-11mmHg at 25°C
Refractive Index:1.519
Boiling Point:516.8°C at 760 mmHg
Flash Point:217.8°C
PSA：69.67000
Density:1.1g/cm³
LogP:5.34530
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:446.30322444
Heavy Atom Count:32
Complexity:761

Purity/Quality:

99% ^*data from raw suppliers

5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester ~97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Technology Process of 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester

There total 13 articles about 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester 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: 95.0%

: 34186-19-1
methyl 3α-hydroxy-6-oxo-5α-cholan-24-oate

: 108-24-7
acetic anhydride

: 2616-79-7
methyl 3α-acetoxy-6-oxo-5α-cholan-24-oate

Guidance literature:: With pyridine; dmap; In dichloromethane; at 20 ℃; for 0.5h;
DOI:10.3390/molecules21091139

Reference yield:

: 2868-48-6
methyl hyodeoxycholate

: 2616-79-7
methyl 3α-acetoxy-6-oxo-5α-cholan-24-oate

Guidance literature:: Multi-step reaction with 3 steps

1: chromium (VI)-oxide; aqueous acetic acid

3: Chromatographieren einer Loesung in Benzol an (alkalihaltigem) Aluminiumoxid

With chromium(VI) oxide; acetic acid;
DOI:10.1021/ja01213a051

Reference yield:

: 2862-62-6
3α-ol-6-oxo-5β-24-cholanoic acid methyl ester

: 2616-79-7
methyl 3α-acetoxy-6-oxo-5α-cholan-24-oate

Guidance literature:: Multi-step reaction with 2 steps

2: Chromatographieren einer Loesung in Benzol an (alkalihaltigem) Aluminiumoxid

DOI:10.1021/ja01213a051