(6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Base Information

• Chemical Name: (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• CAS No.: 471-66-9
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.709
• Hs Code.: 29181990
• DSSTox Substance ID: DTXSID60590811
• Mol file: 471-66-9.mol

Synonyms:471-66-9;(6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid;|A-Boswellic-acid;alpha -Boswellic acid;DTXSID60590811;AKOS015896778;(3alpha,4beta)-3-Hydroxyolean-12-en-23-oic Acid;(5xi,9xi,10xi)-3-Hydroxyolean-12-en-23-oic acid

Chemical Property of (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.62E-14mmHg at 25°C
• Melting Point: 289℃
• Refractive Index: 1.557
• Boiling Point: 552.7 °C at 760 mmHg
• PKA: 4.50±0.70(Predicted)
• Flash Point: 302.1 °C
• PSA: 57.53000
• Density: 1.1g/cm³
• LogP: 7.23360
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 456.36034539
• Heavy Atom Count: 33
• Complexity: 889

Purity/Quality:

95%-98% ^*data from raw suppliers

Alpha-Boswellic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1)C)C)C
• Isomeric SMILES: C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C
• Uses: ALPHA-BOSWELLIC ACID is the principal constitutents of frankincense (olibanum). A specific, nonredox inhibitor of 5-lipoxygenase used to treat inflammation.

Technology Process of (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

There total 2 articles about (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 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:

3α-O-acetyl-α-boswellic acid (89913-60-0) → alpha-Boswellic acid (471-66-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ alpha-Boswellic acid (471-66-9)

Guidance literature:

Zusammenfassende Darstellungen;

upstream raw materials:

3α-O-acetyl-α-boswellic acid