10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

Base Information

• Chemical Name: 10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
• CAS No.: 17020-22-3
• Molecular Formula: C30H48O2
• Molecular Weight: 440.71
• Wikidata: Q105260265
• Mol file: 17020-22-3.mol

Synonyms:10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde;3b-Hydroxy-12-oleanen-28-al

Chemical Property of 10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

Chemical Property:

• Melting Point: 169-172℃
• Boiling Point: 516.5±50.0 °C(Predicted)
• PKA: 15.16±0.70(Predicted)
• PSA: 37.30000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 7.34790
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 440.365430770
• Heavy Atom Count: 32
• Complexity: 838

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C

Technology Process of 10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

There total 8 articles about 10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde 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: 95.0%

erythrodiol (545-48-2,55869-95-9,118204-21-0) → 3β-hydroxyolean-12-en-28-al (17020-22-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; 1,5-dimethyl-9-azanoradamantane N-oxyl; In dichloromethane; at 20 ℃; for 0.5h; Reagent/catalyst; Catalytic behavior;

Reference yield:

C36H62O2Si → 3β-hydroxyolean-12-en-28-al (17020-22-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

C36H62O2Si → 3β-hydroxyolean-12-en-28-al (17020-22-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; water;

upstream raw materials:

erythrodiol

Oleanolic acid

(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(tert-Butyl-dimethyl-silanyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester

(3β)-3-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-olean-12-en-28-ol

Downstream raw materials:

erythrodiol