Isorubijervine

Base Information

• Chemical Name: Isorubijervine
• CAS No.: 468-45-1
• Molecular Formula: C₂₇H₄₃NO₂
• Molecular Weight: 413.644
• UNII: E09X2254A7
• Nikkaji Number: J5.921H
• Mol file: 468-45-1.mol

Synonyms:Isorubijervine;UNII-E09X2254A7;E09X2254A7;NSC 226131;NSC-226131;Solanid-5-ene-3,18-diol, (3.beta.)-;ISORUBIJERVINE [MI];SCHEMBL3203238;Solanid-5-ene-3,18-diol, (3beta)-;Q27276700

Chemical Property of Isorubijervine

Chemical Property:

• Vapor Pressure: 5.27E-14mmHg at 25°C
• Melting Point: 235-237°
• Refractive Index: 1.6400 (estimate)
• Boiling Point: 541.9°Cat760mmHg
• PKA: 14.98±0.10(Predicted)
• Flash Point: 255.9°C
• PSA: 43.70000
• Density: 1.15g/cm³
• LogP: 4.56530
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 413.329379614
• Heavy Atom Count: 30
• Complexity: 734

Purity/Quality:

99% ^*data from raw suppliers

ISORUBIJERVINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)CO)C
• Isomeric SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)CO)C

Technology Process of Isorubijervine

There total 1 articles about Isorubijervine 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:

→ isorubijervine (468-45-1)

Guidance literature:

With hydrogenchloride; water;

DOI:10.1021/ja01105a032