Methyl 7a,12a-dihydroxy-5b-chol-2-enoate

Base Information

Chemical Name:Methyl 7a,12a-dihydroxy-5b-chol-2-enoate
CAS No.:77731-10-3
Molecular Formula:C₂₅H₄₀O₄
Molecular Weight:404.59
Hs Code.:
DSSTox Substance ID:DTXSID20561087
Wikidata:Q72466560
Mol file:77731-10-3.mol

Synonyms:Methyl 7a,12a-dihydroxy-5b-chol-2-enoate;77731-10-3;methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;DTXSID20561087;Methyl7a,12a-dihydroxy-5b-chol-2-enoate;A865167

Suppliers and Price of Methyl 7a,12a-dihydroxy-5b-chol-2-enoate

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

American Custom Chemicals Corporation
METHYL-7ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOL-2-ENOATE 95.00%
5MG
$ 496.79

Total 12 raw suppliers

Chemical Property of Methyl 7a,12a-dihydroxy-5b-chol-2-enoate

Chemical Property:

PSA：66.76000
Density:1.103
LogP:4.34230
Storage Temp.:2-8°C
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.29265975
Heavy Atom Count:29
Complexity:659

Purity/Quality:

97% ^*data from raw suppliers

METHYL-7ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOL-2-ENOATE 95.00% ^*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(CC3C2C(CC4C3(CC=CC4)C)O)O)C
Isomeric SMILES:C[C@H](CCC(=O)OC)[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=CC4)C)O)O)C

Technology Process of Methyl 7a,12a-dihydroxy-5b-chol-2-enoate

There total 7 articles about Methyl 7a,12a-dihydroxy-5b-chol-2-enoate 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: 21.0%

: 28192-77-0,110655-79-3
7α,12α-Dihydroxy-3α-(p-tolylsulfonyloxy)-5β-cholansaeure-methylester

: 77731-18-1
7α,12α-Dihydroxychol-4-ensaeure-methylester

: 3α,7α-Epoxy-12α-hydroxy-5β-cholansaeure-methylester

: 77731-11-4
7α,12α-Dihydroxy-5β-chol-3-ensaeure-methylester

: 77731-10-3
7α,12α-Dihydroxy-5β-chol-2-ensaeure-methylester

Guidance literature:: With aluminum oxide; In benzene; Further byproducts given. Yields of byproduct given; Heating;
DOI:10.1002/ardp.19813140205