20-Ethyl-1,7-dihydroxy-6,8,16-trimethoxy-4-(2-methoxyethyl)aconitan-14-yl acetate

Base Information

• Chemical Name: 20-Ethyl-1,7-dihydroxy-6,8,16-trimethoxy-4-(2-methoxyethyl)aconitan-14-yl acetate
• CAS No.: 68388-52-3
• Molecular Formula: C28H45NO8
• Molecular Weight: 523.6588
• DSSTox Substance ID: DTXSID10987939
• Wikidata: Q82976311

Synonyms:68388-52-3;20-Ethyl-1alpha,6beta,8,16beta-tetramethoxy-4-(methoxymethyl)aconitane-7,14alpha-diol 14-acetate;DTXSID10987939;20-Ethyl-1,7-dihydroxy-6,8,16-trimethoxy-4-(2-methoxyethyl)aconitan-14-yl acetate;Aconitane-7,14-diol, 20-ethyl-1,6,8,16-tetramethoxy-4-(methoxymethyl)-,14-acetate, (1alpha,6beta,14alpha,16beta)-

Chemical Property of 20-Ethyl-1,7-dihydroxy-6,8,16-trimethoxy-4-(2-methoxyethyl)aconitan-14-yl acetate

Chemical Property:

• Vapor Pressure: 7.47E-17mmHg at 25°C
• Boiling Point: 599.1°Cat760mmHg
• Flash Point: 316.1°C
• PSA: 106.92000
• Density: 1.28g/cm³
• LogP: 1.16980
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 523.31451739
• Heavy Atom Count: 37
• Complexity: 934

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC(=O)C)OC)OC)O)OC)O)CCOC

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