methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate

Base Information

Chemical Name:methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate
CAS No.:71837-87-1
Molecular Formula:C27H42 O6
Molecular Weight:462.627
Hs Code.:
European Community (EC) Number:276-058-8
DSSTox Substance ID:DTXSID80992550
Nikkaji Number:J295.101K
Wikidata:Q82982801
Mol file:71837-87-1.mol

Synonyms:5b-Cholanic acid, 3a,7a-dihydroxy-12-oxo-, methyl ester, 7-acetate (6CI,7CI)

Suppliers and Price of methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate

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,?5β,?7α)?-7-?(Acetyloxy)?-?3-?hydroxy-?12-?oxocholan-?24-?oicAcidMethylEster
250mg
$ 1650.00

Total 6 raw suppliers

Chemical Property of methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate

Chemical Property:

PSA：89.90000
LogP:4.31610
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:462.29813906
Heavy Atom Count:33
Complexity:794

Purity/Quality:

99% ^*data from raw suppliers

(3α,?5β,?7α)?-7-?(Acetyloxy)?-?3-?hydroxy-?12-?oxocholan-?24-?oicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)OC(=O)C)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[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)OC(=O)C)C
Uses (3α,?5β,?7α)?-7-?(Acetyloxy)?-?3-?hydroxy-?12-?oxocholan-?24-?oic Acid Methyl Ester is an intermediate in the synthesis of 12β-Hydroxyisocholic Acid (H943480), a bile acid.

Technology Process of methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate

There total 11 articles about methyl (3alpha,5beta,7alpha)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate 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:

: 7432-44-2
methyl 7α-acetoxy-3α,12α-dihydroxy-5β-cholan-24-oate

: 71837-87-1
methyl 3α-hydroxy-7α-acetoxy-12-oxocholanate

Guidance literature:: With potassium chromate; acetic acid;
DOI:10.1021/ja01168a046

Reference yield:

: 1448-36-8
methyl cholate

: 71837-87-1
methyl 3α-hydroxy-7α-acetoxy-12-oxocholanate

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine; benzene

2: methanol. HCl

3: K₂cro4; aqueous acetic acid

With pyridine; hydrogenchloride; potassium chromate; acetic acid; benzene;
DOI:10.1021/ja01168a046

Reference yield:

: 3749-87-9
methyl 3α,7α-diacetoxy-12α-hydroxy cholanate

: 71837-87-1
methyl 3α-hydroxy-7α-acetoxy-12-oxocholanate

Guidance literature:: Multi-step reaction with 2 steps

1: methanol. HCl

2: K₂cro4; aqueous acetic acid

With hydrogenchloride; potassium chromate; acetic acid;
DOI:10.1021/ja01168a046