Cycloartane

Base Information

• Chemical Name: Cycloartane
• CAS No.: 511-64-8
• Molecular Formula: C₃₀H₅₂
• Molecular Weight: 412.743
• UNII: TJ8JF2M6U6
• DSSTox Substance ID: DTXSID10965378
• Nikkaji Number: J39.502A
• Wikipedia: Cycloartane
• Wikidata: Q27117259
• Metabolomics Workbench ID: 55682
• Mol file: 511-64-8.mol

Synonyms:cycloartane;cycloorthane

Chemical Property of Cycloartane

Chemical Property:

• Vapor Pressure: 1.1E-08mmHg at 25°C
• Boiling Point: 473.7°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 0.00000
• Density: 0.95g/cm³
• LogP: 9.27800
• XLogP3: 11.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 412.406901659
• Heavy Atom Count: 30
• Complexity: 674

Purity/Quality:

98% ^*data from raw suppliers

CYCLOARTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCCC5(C)C)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCCC5(C)C)C)C

Technology Process of Cycloartane

There total 9 articles about Cycloartane 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:

→ cycloartane (511-64-8)

Guidance literature:

With diethyl ether; acetic acid; platinum; Hydrogenation;

DOI:10.1039/jr9510001444

Reference yield:

→ cycloartane (511-64-8)

Guidance literature:

With sodium ethanolate;

Reference yield:

(3S,5R,8S,9R,10R,11R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthrene-3,11-diol (17939-37-6) → cycloartane (511-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃

2: (reduction)

With chromium(VI) oxide;

DOI:10.1039/PS9630000157

upstream raw materials:

3,11-Dioxo-cycloartan

(3S,5R,8S,9R,10R,11R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthrene-3,11-diol

(3S,5R,8S,10R,13R,14S,17R)-10-Aminomethyl-17-((R)-1,5-dimethyl-hexyl)-4,4,13,14-tetramethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Acetic acid (3S,5R,8R,9S,10R,11S,13R,14S,17R)-10-cyano-17-((R)-1,5-dimethyl-hexyl)-11-hydroxy-4,4,13,14-tetramethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester