(3beta)-Stigmast-5-en-3-yl benzoate

Base Information

Chemical Name:(3beta)-Stigmast-5-en-3-yl benzoate
CAS No.:1900-52-3
Molecular Formula:C36H54 O2
Molecular Weight:518.824
Hs Code.:
European Community (EC) Number:217-597-0
DSSTox Substance ID:DTXSID40940537
Nikkaji Number:J199.724F
Wikidata:Q82917212
Mol file:1900-52-3.mol

Synonyms:(3beta)-Stigmast-5-en-3-yl benzoate;1900-52-3;EINECS 217-597-0;[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate;stigmast-5-en-3-yl benzoate;SCHEMBL24015450;DTXSID40940537;Stigmast-5-en-3beta-ol benzoate;Stigmast-5-en-3.beta.-ol, benzoate;Stigmast-5-en-3-ol, benzoate, (3.beta.)-

Suppliers and Price of (3beta)-Stigmast-5-en-3-yl benzoate

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 8 raw suppliers

Chemical Property of (3beta)-Stigmast-5-en-3-yl benzoate

Chemical Property:

Vapor Pressure:1.47E-13mmHg at 25°C
Boiling Point:582.5°Cat760mmHg
Flash Point:260.4°C
PSA：26.30000
Density:1.02g/cm³
LogP:9.88950
XLogP3:11.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:518.412380961
Heavy Atom Count:38
Complexity:851

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)C(C)C
Isomeric SMILES:CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C)C(C)C
General Description (3β)-Stigmast-5-en-3-yl benzoate, also known as sitosteryl benzoate, is a sterol ester derived from β-sitosterol, a common plant sterol. It is formed by the esterification of the hydroxyl group at the C-3 position of β-sitosterol with benzoic acid. (3beta)-stigmast-5-en-3-yl benzoate has been studied in various plant sources, such as *Phellodendron* species, and is often associated with phytosterol derivatives that may exhibit biological activities. Its structural features include a stigmastane skeleton with a double bond at the 5-position and a benzoate group at the 3β-position, contributing to its lipophilic nature. While specific pharmacological properties are not detailed here, sterol esters like sitosteryl benzoate are generally of interest for their potential roles in plant biochemistry and possible applications in nutrition or medicine.

Technology Process of (3beta)-Stigmast-5-en-3-yl benzoate

There total 27 articles about (3beta)-Stigmast-5-en-3-yl benzoate 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: 98.0%

: 1900-52-3
β-sitosteryl benzoate

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 40 ℃;

Reference yield: 97.5%

: 83-46-5
β-sitosterol

: 98-88-4
benzoyl chloride

: 1900-52-3
β-sitosteryl benzoate

Guidance literature:: With pyridine;
DOI:10.1007/BF00765593

Reference yield:

: 101047-05-6,101047-06-7,101143-34-4,101143-35-5
Benzoic acid (3S,8S,9S,10R,13R,14S,17R)-17-((1R,4R)-5-hydroxy-4-isopropyl-1-methyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

: 1900-52-3
β-sitosteryl benzoate

Guidance literature:: Multi-step reaction with 2 steps

2: tributyltin hydride

With tri-n-butyl-tin hydride;
DOI:10.1016/S0040-4039(00)89259-X