delta-Amyrin acetate

Base Information

• Chemical Name: delta-Amyrin acetate
• CAS No.: 51361-60-5
• Molecular Formula: C32H52O2
• Molecular Weight: 468.7541
• Wikidata: Q105031636
• Mol file: 51361-60-5.mol

Synonyms:delta-Amyrin acetate;51361-60-5;-Amyrin acetate;HY-N3719;AKOS040761601;FS-9950;CS-0024113;Olean-13(18)-en-3-ol, acetate, (3)-;[(3S,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl] acetate

Chemical Property of delta-Amyrin acetate

Chemical Property:

• Vapor Pressure: 2.39E-10mmHg at 25°C
• Boiling Point: 505.6°Cat760mmHg
• Flash Point: 256.5°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 8.88380
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 468.396730897
• Heavy Atom Count: 34
• Complexity: 910

Purity/Quality:

98%min ^*data from raw suppliers

delta-Amyrinacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3CCC4=C5CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CCC4=C5CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)(C)C)C

Technology Process of delta-Amyrin acetate

There total 12 articles about delta-Amyrin acetate 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: 94.0%

C34H54O2S2 → olean-13(18)-en-3β-yl acetate (51361-60-5)

Guidance literature:

With Raney nickel; In ethanol; Reflux;

Reference yield:

3β-acetoxy-oleana-11,13(18)-diene (2118-75-4) → olean-13(18)-en-3β-yl acetate (51361-60-5)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1002/hlca.194102401149

Reference yield:

C32H50O3 → olean-13(18)-en-3β-yl acetate (51361-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; boron trifluoride diethyl etherate / 20 °C

2: Raney nickel / ethanol / Reflux

With boron trifluoride diethyl etherate; acetic acid; In ethanol;

upstream raw materials:

3β-acetoxy-oleana-11,13(18)-diene

sulfuric acid

lupeol acetate

acetic acid

Downstream raw materials:

δ-amyrone

Refernces

• 1、 Corey,Lee. "Enantioselective total synthesis of oleanolic acid, erythrodiol, β- amyrin, and other pentacyclic triterpenes from a common intermediate". . p. 8873 - 8874. Retrieved 2007/10/02.