7-Dehydrocholesterol 5,6-oxide

Base Information

• Chemical Name: 7-Dehydrocholesterol 5,6-oxide
• CAS No.: 95841-71-7
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.645
• DSSTox Substance ID: DTXSID20914791
• Wikidata: Q76009851
• Metabolomics Workbench ID: 36212
• Mol file: 95841-71-7.mol

Synonyms:7-dehydrocholesterol 5,6-epoxide;7-dehydrocholesterol 5,6-oxide;7-DHCO

Chemical Property of 7-Dehydrocholesterol 5,6-oxide

Chemical Property:

• Vapor Pressure: 2.31E-12mmHg at 25°C
• Boiling Point: 506.1°Cat760mmHg
• Flash Point: 208°C
• PSA: 32.76000
• Density: 1.05g/cm³
• LogP: 6.52000
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 400.334130642
• Heavy Atom Count: 29
• Complexity: 682

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC4C5(C3(CCC(C5)O)C)O4)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C

Technology Process of 7-Dehydrocholesterol 5,6-oxide

There total 5 articles about 7-Dehydrocholesterol 5,6-oxide 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: 78.0%

5β,6β-epoxy-7α-bromocholestan-3β-ol (95841-70-6) → 5β,6β-epoxycholest-7-en-3β-ol (95841-71-7)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 55 ℃; for 1h;

DOI:10.1021/jo00211a009

Reference yield: 70.0%

7-dehydrocholesterol (434-16-2) → 5β,6β-epoxycholest-7-en-3β-ol (95841-71-7) + 5α,6α-epoxycholest-7-en-3β-ol (95841-65-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.35h;

DOI:10.1021/jm901063e

Reference yield:

7-dehydrocholesterol (434-16-2) → (3S,9S,10R,13R,14R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,9,10,11,12,13,14,15,16,17-tetradecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-3-ol (95841-65-9,95841-71-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 4 ℃; for 2h;

DOI:10.1016/0039-128X(91)90066-5

upstream raw materials:

7-dehydrocholesterol

5β,6β-epoxy-7α-bromocholestan-3β-ol

7α-bromocholest-5-en-3β-ol benzoate

5β,6β-epoxy-7α-bromocholestan-3β-ol benzoate

Downstream raw materials:

Benzoic acid (3S,5S,6R,9S,10R,13R,14R,17R)-17-((R)-1,5-dimethyl-hexyl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester

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