7beta-Hydroxycholest-4-en-3-one

Base Information

Chemical Name:7beta-Hydroxycholest-4-en-3-one
CAS No.:25876-54-4
Molecular Formula:C27H44O2
Molecular Weight:400.645
Hs Code.:
DSSTox Substance ID:DTXSID60415292
Nikkaji Number:J637.345C
Wikidata:Q82224221
Metabolomics Workbench ID:36797
Mol file:25876-54-4.mol

Synonyms:25876-54-4;7beta-Hydroxy-4-cholesten-3-one;7beta-Hydroxycholest-4-en-3-one;(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-Cholesten-7beta-ol-3-one;7?-HYDROXY-4-CHOLESTEN-3-ONE;SCHEMBL735215;DTXSID60415292;7 beta -Hydroxy-4-cholesten-3-one;LMST04030126;J-016157

Suppliers and Price of 7beta-Hydroxycholest-4-en-3-one

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
7β-Hydroxy-4-cholesten-3-one
1mg
$ 305.00

American Custom Chemicals Corporation
4-CHOLESTEN-7BETA-OL-3-ONE 95.00%
5MG
$ 505.12

Total 5 raw suppliers

Chemical Property of 7beta-Hydroxycholest-4-en-3-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:516.685°C at 760 mmHg
Flash Point:218.477°C
PSA：37.30000
Density:1.032g/cm³
LogP:6.56770
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly, Heated)
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:400.334130642
Heavy Atom Count:29
Complexity:663

Purity/Quality:

99% ^*data from raw suppliers

7β-Hydroxy-4-cholesten-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C
Uses A metabolite of Cholesterol.

Technology Process of 7beta-Hydroxycholest-4-en-3-one

There total 11 articles about 7beta-Hydroxycholest-4-en-3-one 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: 85.0%

: 566-27-8
cholest-5-en-3β,7β-diol

: 25876-54-4
Δ⁴-7β-hydroxycholesterol

Guidance literature:: With phosphate buffer pH 7; oxygen; (2-hydroxypropyl)-α-cyclodextrin; at 20 ℃; for 24h; catalase, Brevibacterium sp. cholesterol oxidase E_.C_. 1.1.3.6;
DOI:10.1016/0039-128X(95)93851-O

Reference yield:

: 566-27-8
cholest-5-en-3β,7β-diol

: 25876-54-4
Δ⁴-7β-hydroxycholesterol

: 14169-76-7
Δ⁴-7β-hydrocholestenone

Guidance literature:: With 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one; buffer containing Triton-X 100; cetyltrimethylammonim bromide; cholesterol oxidase; In cyclohexane; butan-1-ol; Kinetics; further reaction conditions;
DOI:10.1016/S0040-4020(01)85893-2

Reference yield:

: 566-28-9
7-Oxocholesterol

: 25876-54-4
Δ⁴-7β-hydroxycholesterol

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / CeCl₃, NaBH₄ / tetrahydrofuran; methanol / 0.17 h / Ambient temperature

2: 85 percent / hydroxypropyl-β-cyclodextrin, 0.06 M phosphate buffer pH 7, O2 / 24 h / 20 °C / catalase, Brevibacterium sp. cholesterol oxidase E.C. 1.1.3.6

With sodium tetrahydroborate; cerium(III) chloride; phosphate buffer pH 7; oxygen; (2-hydroxypropyl)-α-cyclodextrin; In tetrahydrofuran; methanol;
DOI:10.1016/0039-128X(95)93851-O