Benzaldehydhelveticosid

Base Information

• Chemical Name: Benzaldehydhelveticosid
• CAS No.: 28719-23-5
• Molecular Formula: C36H46 O9
• Molecular Weight: 622.76
• DSSTox Substance ID: DTXSID50951376
• Mol file: 28719-23-5.mol

Synonyms:Benzaldehydhelveticosid;28719-23-5;Benzaldehydhelveticosid [German];FG 200;C36H46O9;C36-H46-O9;5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(phenylmethylene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-;DTXSID50951376;3-[(3,4-O-Benzylidene-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Chemical Property of Benzaldehydhelveticosid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 777.49°C at 760 mmHg
• Flash Point: 244.064°C
• PSA: 120.75000
• Density: 1.341g/cm³
• LogP: 4.54020
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 622.31418304
• Heavy Atom Count: 45
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC(O2)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)C8=CC=CC=C8