Aborenone

Base Information

• Chemical Name: Aborenone
• CAS No.: 25465-81-0
• Molecular Formula: C₃₀H₄₈O
• Molecular Weight: 424.711
• Nikkaji Number: J40.405E
• Wikidata: Q104919502
• Mol file: 25465-81-0.mol

Synonyms:25465-81-0;Aborenone;(3S,3aS,5aS,5bS,7aR,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one;5|A-Arbor-9(11)-en-3-one;AKOS040747761;(3S, 3aS, 5aS, 5bS, 7aR, 11aS, 13aR, 13bS)-3a, 5a, 8, 8, 11a, 13a-hexamethyl-3-propan-2-yl-2, 3, 4, 5, 5b, 6, 7, 7a, 10, 11, 13, 13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one

Chemical Property of Aborenone

Chemical Property:

• Vapor Pressure: 8.72E-10mmHg at 25°C
• Melting Point: 214.0-214.5 °C(Solv: hexane (110-54-3))
• Boiling Point: 491°Cat760mmHg
• Flash Point: 204.1°C
• PSA: 17.07000
• Density: 1g/cm³
• LogP: 8.23300
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 424.370516150
• Heavy Atom Count: 31
• Complexity: 818

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(=O)C5(C)C)C)C)C)C
• Isomeric SMILES: CC(C)[C@@H]1CC[C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C

Technology Process of Aborenone

There total 4 articles about Aborenone 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:

isoarborinol (5532-41-2,17904-56-2) → arborinone (25465-81-0)

Guidance literature:

With chromium(VI) oxide; In acetic acid; benzene; for 3h; Yield given;

DOI:10.1016/0031-9422(88)80678-2

Reference yield:

sorghumol (90582-44-8,17904-56-2) → (3R,3aS,5aS,5bS,7aR,11aS,13aR,13bS)-3-Isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,8,10,11,11a,13,13a,13b-octadecahydro-cyclopenta[a]chrysen-9-one (6090-29-5,25465-81-0)

Guidance literature:

With chromium trioxide pyridine;

Reference yield:

→ arborinone (25465-81-0)

Guidance literature:

Isoarborinol, CrO3;

upstream raw materials:

isoarborinol

sorghumol

Downstream raw materials:

fernene

arborinol

isoarborinol

Refernces

• 1、 Chawla,Kaith,Handa,Kulshreshta,Srimal. "Chemical investigation and antiinflammatory activity of Pluchea lanceolata roots". . p. 918 - 922. Retrieved 2007/10/02.