3-Methylcyclohexanonhelveticosid

Base Information

• Chemical Name: 3-Methylcyclohexanonhelveticosid
• CAS No.: 40279-45-6
• Molecular Formula: C36H52O9
• Molecular Weight: 628.7927

Synonyms:3-Methylcyclohexanonhelveticosid;FG 413;40279-45-6;3-Methylcyclohexanonhelveticosid [German];5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(3-methylcyclohexylidene)-beta-D-ribo-hexapyranosyl)oxy)-5,14-dihydroxy-19-oxo-

Chemical Property of 3-Methylcyclohexanonhelveticosid

Chemical Property:

• Boiling Point: 764.6°Cat760mmHg
• Flash Point: 237.2°C
• Density: 1.29g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 628.36113323
• Heavy Atom Count: 45
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CCCC2(C1)OC3CC(OC(C3O2)C)OC4CCC5(C6CCC7(C(CCC7(C6CCC5(C4)O)O)C8=CC(=O)OC8)C)C=O
• Isomeric SMILES: CC1CCCC2(C1)O[C@@H]3C(O[C@H](CC3O2)O[C@H]4CC[C@@]5(C6CC[C@@]7([C@H](CC[C@@]7(C6CC[C@@]5(C4)O)O)C8=CC(=O)OC8)C)C=O)C

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