Parkeol

Base Information

• Chemical Name: Parkeol
• CAS No.: 514-45-4
• Molecular Formula: C30H50O
• Molecular Weight: 426.726
• UNII: FM88E87P32
• DSSTox Substance ID: DTXSID20487430
• Metabolomics Workbench ID: 62794
• Nikkaji Number: J13.992K
• Wikidata: Q27132633
• Wikipedia: Parkeol
• Mol file: 514-45-4.mol

Synonyms:lanost-9(11)-en-3 beta-ol;lanost-9(11)-en-3-ol;parkeol

Chemical Property of Parkeol

Chemical Property:

• Vapor Pressure: 5.11E-12mmHg at 25°C
• Boiling Point: 498.3°C at 760 mmHg
• Flash Point: 221°C
• PSA: 20.23000
• Density: 0.98g/cm³
• LogP: 8.33500
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 426.386166214
• Heavy Atom Count: 31
• Complexity: 754

Purity/Quality:

98%min ^*data from raw suppliers

Parkeol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
• Isomeric SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

Technology Process of Parkeol

There total 11 articles about Parkeol 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: 79.0%

2,3-Oxidosqualene (14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5) → parkeol (514-45-4) + tirucallol (79-63-0) + Lanost-24-ene-3β,9α-diol (69637-82-7)

Guidance literature:

With S_. cerevisiae lanosterol-synthase Thr 384 Tyr mutant; Further Variations:; Reagents; Product distribution;

Reference yield:

2,3-Oxidosqualene (14050-42-1,54910-48-4,54910-49-5,54910-50-8,55058-26-9,55058-27-0,132199-42-9,138809-21-9,147731-51-9,7200-26-2,54274-53-2,71606-52-5) → parkeol (514-45-4) + cycloartenol (469-38-5) + tirucallol (79-63-0)

Guidance literature:

With CAS₁Ile₈₄₁Val mutant; YPG+heme;

DOI:10.1021/ja992589b

Reference yield:

squalene 2,3(S)-oxide (54910-48-4,54274-53-2,71606-52-5) → parkeol (514-45-4) + cycloartenol (469-38-5) + tirucallol (79-63-0)

Guidance literature:

With cycloartenol synthase I₄₈₁V mutant; In phosphate buffer; at 20 ℃; for 24h; pH=7.4; Further Variations:; Reagents; Product distribution;

DOI:10.1021/ja053791j

upstream raw materials:

cycloartenol

2,3-Oxidosqualene

squalene 2,3(S)-oxide

Downstream raw materials:

(10S)-3c-Acetoxy-4.4.10r.13c.14t-pentamethyl-17c-((R)-1.5-dimethyl-hexen-(4)-yl)-(5tH.8cH)-Δ⁹⁽¹¹⁾-tetradecahydro-1H-cyclopenta[a]phenanthren

Refernces

• 1、 Wu, Tung-Kung,Wang, Tsai-Ting,Chang, Cheng-Hsiang,Liu, Yuan-Ting,Shie, Wen-Shiang. "Importance of Saccharomyces cerevisiae oxidosqualene-lanosterol cyclase tyrosine 707 residue for chair-boat bicyclic ring formation and deprotonation reactions". scheme or table. p. 4959 - 4962. Retrieved 2009/06/05.
• 2、 Lodeiro, Silvia,Schulz-Gasch, Tanja,Matsuda, Seiichi P. T.. "Enzyme redesign: Two mutations cooperate to convert cycloartenol synthase into an accurate lanosterol synthase". . p. 14132 - 14133. Retrieved 2007/10/03.