6-Methylhepten-5-on-2-helveticosid

Base Information

• Chemical Name: 6-Methylhepten-5-on-2-helveticosid
• CAS No.: 40279-51-4
• Molecular Formula: C36H52O9
• Molecular Weight: 628.8

Synonyms:6-Methylhepten-5-on-2-helveticosid;FG 798;40279-51-4;6-Methylhepten-5-on-2-helveticosid [German];5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methyl-4-hexenylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-

Chemical Property of 6-Methylhepten-5-on-2-helveticosid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 744.476°C at 760 mmHg
• Flash Point: 228.846°C
• Density: 1.269g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 628.36113323
• Heavy Atom Count: 45
• Complexity: 1250

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Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC=CCCC1(OC2CC(OC(C2O1)C)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C=O)C
• Isomeric SMILES: C/C=C/CCC1(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)C

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