Butyrophenonhelveticosid

Base Information

• Chemical Name: Butyrophenonhelveticosid
• CAS No.: 35919-82-5
• Molecular Formula: C39H52O9
• Molecular Weight: 664.8248
• DSSTox Substance ID: DTXSID10957334

Synonyms:Butyrophenonhelveticosid;35919-82-5;Butyrophenonhelveticosid [German];FG 274;5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-phenylbutylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-9-oxo-;DTXSID10957334;3-{[2,6-Dideoxy-3,4-O-(1-phenylbutylidene)hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

Chemical Property of Butyrophenonhelveticosid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 789.9°Cat760mmHg
• Flash Point: 241.4°C
• Density: 1.29g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 664.36113323
• Heavy Atom Count: 48
• Complexity: 1300

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCC1(OC2CC(OC(C2O1)C)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)C8=CC=CC=C8
• Isomeric SMILES: CCCC1(O[C@@H]2C(O[C@H](CC2O1)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)C)C8=CC=CC=C8

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