Acetophenonehelveticoside

Base Information

• Chemical Name: Acetophenonehelveticoside
• CAS No.: 28719-24-6
• Molecular Formula: C37H48 O9
• Molecular Weight: 636.7716
• DSSTox Substance ID: DTXSID10951377
• Mol file: 28719-24-6.mol

Synonyms:Acetophenonhelveticosid;Acetophenonehelveticoside;28719-24-6;Acetophenonhelveticosid [German];C37H48O9;C37-H48-O9;5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(alpha-methylbenzylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-;DTXSID10951377;3-{[2,6-Dideoxy-3,4-O-(1-phenylethylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Chemical Property of Acetophenonehelveticoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 775.491°C at 760 mmHg
• Flash Point: 240.956°C
• Density: 1.326g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 636.32983310
• Heavy Atom Count: 46
• Complexity: 1260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)C8=CC=CC=C8
• Isomeric SMILES: CC1[C@@H]2C(C[C@@H](O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)(C)C8=CC=CC=C8