5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-

Base Information

• Chemical Name: 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-
• CAS No.: 33279-55-9
• Molecular Formula: C36H56O13
• Molecular Weight: 696.83

Synonyms:Thevebiosid [German];5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-;AKOS032948732;LS-52319

Chemical Property of 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-2-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 882.9°C at 760 mmHg
• Flash Point: 272.3°C
• PSA: 193.83000
• Density: 1.38g/cm³
• LogP: 0.93440
• XLogP3: 0
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 696.37209184
• Heavy Atom Count: 49
• Complexity: 1260

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)O)OCC2C(C(C(C(O2)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)O)OC)O)O)O
• Isomeric SMILES: CC1[C@H](C(C([C@@H](O1)O)OCC2[C@H](C(C([C@H](O2)O[C@H]3CC[C@]4([C@@H](C3)CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)O)OC)O)O)O

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