Leucasin

Base Information

• Chemical Name: Leucasin
• CAS No.: 140231-39-6
• Molecular Formula: C42H70O12
• Molecular Weight: 766.998
• DSSTox Substance ID: DTXSID70930749
• Mol file: 140231-39-6.mol

Synonyms:3-O-(beta-D-glucopyranosyl(1-2)beta-D-glucopyranosyl)-2 alpha,3 beta-dihydroxylup-20(29)-ene;leucasin

Chemical Property of Leucasin

Chemical Property:

• Vapor Pressure: 1.17E-33mmHg at 25°C
• Boiling Point: 850.5°Cat760mmHg
• Flash Point: 468.2°C
• PSA: 198.76000
• Density: 1.3g/cm³
• LogP: 2.64400
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 766.48672766
• Heavy Atom Count: 54
• Complexity: 1390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CCC4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC(C(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C