3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid

Base Information

Chemical Name:3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid
CAS No.:62681-12-3
Molecular Formula:C24H38O4
Molecular Weight:390.5561
Hs Code.:
DSSTox Substance ID:DTXSID80332073
Nikkaji Number:J2.775.690E
Wikidata:Q27144249
Metabolomics Workbench ID:36460

Synonyms:3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid;62681-12-3;CHEBI:73926;DTXSID80332073;chol-6-en-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-;LMST04010220;3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate;5beta-Chol-6-enic acid, 3alpha,12alpha-dihydroxy-;Q27144249;(3alpha,5beta,12alpha)-3,12-dihydroxychol-6-en-24-oic acid

Suppliers and Price of 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic 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 0 raw suppliers

Chemical Property of 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid

Chemical Property:

Vapor Pressure:2.93E-14mmHg at 25°C
Boiling Point:547.3°Cat760mmHg
Flash Point:298.9°C
Density:1.144g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Heavy Atom Count:28
Complexity:645

Purity/Quality:

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)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]2C=C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Technology Process of 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid

There total 7 articles about 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic 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: 90.0%

: 2309-11-7
methyl 3α,12α-diacetoxy-5β-chol-6-en-24-oate

: 62681-12-3
3α,12α-diacetoxy-5β-chol-6-enoic acid

Guidance literature:: With potassium hydroxide; In methanol; for 10h; Heating;
DOI:10.1016/0039-128X(90)90048-G

Reference yield:

: 10452-63-8
methyl 6α-bromo-3α,12α-acetoxy-7-oxo-5β-cholanoate

: 62681-12-3
3α,12α-diacetoxy-5β-chol-6-enoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / Zn(BH₄)2 / benzene; diethyl ether / 0.5 h / Ambient temperature

2: 97 percent / Zn, CH₃COOH / 0.5 h / Heating

3: 90 percent / KOH / methanol / 10 h / Heating

With potassium hydroxide; zinc(II) tetrahydroborate; acetic acid; zinc; In methanol; diethyl ether; benzene;
DOI:10.1016/0039-128X(90)90048-G

Reference yield:

: 21066-20-6
methyl 7-dehydrocholate diacetate (methyl 3α,12α-diacetoxy-7-oxo-5β-cholan-24-oate)

: 62681-12-3
3α,12α-diacetoxy-5β-chol-6-enoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / Br₂

2: 64 percent / Zn(BH₄)2 / benzene; diethyl ether / 0.5 h / Ambient temperature

3: 97 percent / Zn, CH₃COOH / 0.5 h / Heating

4: 90 percent / KOH / methanol / 10 h / Heating

With potassium hydroxide; zinc(II) tetrahydroborate; bromine; acetic acid; zinc; In methanol; diethyl ether; benzene;
DOI:10.1016/0039-128X(90)90048-G