delta-Amyrin

Base Information

• Chemical Name: delta-Amyrin
• CAS No.: 508-04-3
• Molecular Formula: C30H50O
• Molecular Weight: 426.71700
• DSSTox Substance ID: DTXSID401319147
• Metabolomics Workbench ID: 62801
• Nikkaji Number: J12.222J
• Wikidata: Q27132640
• Mol file: 508-04-3.mol

Synonyms:delta-amyrin;13(18)-Oleanen-3-ol;508-04-3;olean-13(18)-en-3beta-ol;(3beta)-olean-13(18)-en-3-ol;(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-ol;delta-Amyrenol;(-)--Amyrin;-Amyrenol;?-Amyrin (>90%);CHEBI:63467;DTXSID401319147;HY-N1036;(3Beta)-oleane-13(18)-en-3-ol;AKOS032962145;FS-9935;olean-13(18)-en-3-ol, (3beta)-;CS-0016300;C20194;J-501180;Q27132640

Chemical Property of delta-Amyrin

Chemical Property:

• Melting Point: 188 - 190 °C (methanol)
• Boiling Point: 491.2±44.0 °C(Predicted)
• PKA: 15.19±0.70(Predicted)
• PSA: 20.23000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 8.31300
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 426.386166214
• Heavy Atom Count: 31
• Complexity: 803

Purity/Quality:

98%min ^*data from raw suppliers

δ-Amyrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C)C
• Isomeric SMILES: C[C@@]12CC[C@@]3(C(=C1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
• Uses: α-Amyrin is a natural chemical compound of the triterpene class. It is a pentacyclic triterpenol widely distributed in nature and has been isolated from a variety of plant sources such as epicuticular wax.

Technology Process of delta-Amyrin

There total 2 articles about delta-Amyrin 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:

lupenol (545-47-1) → α-amyrin (638-95-9) + germanicol (30300-37-9,34079-40-8,465-02-1) + 18-epi-β-amyrin (559-70-6,6811-63-8,52690-48-9,107596-78-1,109838-28-0,144666-16-0,149252-85-7) + pseudo-taraxasterol (464-98-2) + δ-amyrin (39776-31-3,52647-56-0,508-04-3)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform-d1; at 23 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ja906335u

Reference yield:

lupenol (545-47-1) → α-amyrin (638-95-9) + germanicol (30300-37-9,34079-40-8,465-02-1) + taraxasterol (1059-14-9,20301-85-3,64090-86-4,113829-58-6) + 18-epi-β-amyrin (559-70-6,6811-63-8,52690-48-9,107596-78-1,109838-28-0,144666-16-0,149252-85-7) + pseudo-taraxasterol (464-98-2) + δ-amyrin (39776-31-3,52647-56-0,508-04-3)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform-d1; at 23 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ja906335u

Reference yield:

δ-amyrin (39776-31-3,52647-56-0,508-04-3) → δ-amyrone (20248-08-2)

Guidance literature:

With pyridine; chromium(VI) oxide;

upstream raw materials:

lupenol

Downstream raw materials:

δ-amyrone

O-Benzoyl-δ-amyrin