5-Stigmastene-3-beta,7-alpha-diol dibenzoate

Base Information

• Chemical Name: 5-Stigmastene-3-beta,7-alpha-diol dibenzoate
• CAS No.: 56698-81-8
• Molecular Formula: C43H58O4
• Molecular Weight: 638.9182
• DSSTox Substance ID: DTXSID90972141
• Nikkaji Number: J154.136F
• Wikidata: Q82955864
• Mol file: 56698-81-8.mol

Synonyms:5-Stigmastene-3-beta,7-alpha-diol dibenzoate;56698-81-8;Stigmast-5-ene-3-beta,7-alpha-diol, dibenzoate;DTXSID90972141;C43H58O4;Stigmast-5-ene-3,7-diyl dibenzoate;C43-H58-O4;LS-146752;Stigmast-5-ene-3beta,7alpha-diol dibenzoate

Chemical Property of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate

Chemical Property:

• Vapor Pressure: 1.73E-18mmHg at 25°C
• Boiling Point: 682.6°Cat760mmHg
• Flash Point: 331.7°C
• PSA: 52.60000
• Density: 1.09g/cm³
• LogP: 10.72500
• XLogP3: 12.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 638.43351033
• Heavy Atom Count: 47
• Complexity: 1110

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6)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]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)OC(=O)C6=CC=CC=C6)C)C(C)C

Technology Process of 5-Stigmastene-3-beta,7-alpha-diol dibenzoate

There total 5 articles about 5-Stigmastene-3-beta,7-alpha-diol dibenzoate 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:

stigmast-3β,7β-dihydroxyl-5-ene (145163-98-0) + benzoyl chloride (98-88-4) → 24αFH-stigmastene-(5)-diyl-(3β7β)-dibenzoate (56698-81-8,59157-68-5)

Guidance literature:

With pyridine;

DOI:10.1021/jo01185a012

Reference yield:

→ Dibenzoat von Ikshuterol (56698-81-8,59157-68-5)

Guidance literature:

Verb. XIV, 1) LiAlH4, 2) Benzoylchlorid;

DOI:10.1016/S0040-4020(01)90858-0

Reference yield:

→ Dibenzoyl-epi-ikshuterol (56698-81-8,59157-68-5)

Guidance literature:

Epi-Ikshuterol, Benzoylchlorid;

DOI:10.1016/S0040-4020(01)90858-0

upstream raw materials:

stigmast-3β,7β-dihydroxyl-5-ene

benzoyl chloride