20-Ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,6alpha,8,14alpha-tetrol

Base Information

• Chemical Name: 20-Ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,6alpha,8,14alpha-tetrol
• CAS No.: 82202-95-7
• Molecular Formula: C23H37NO6
• Molecular Weight: 423.543

Synonyms:Senbusine A;20-ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,6alpha,8,14alpha-tetrol;CHEBI:132631;(1alpha,6alpha,14alpha,16beta)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,6,8,14-tetrol;(1S,2R,3R,4S,5S,6S,8R,9R,13S,16S,17R,18R)-11-Ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16,18-tetrol

Chemical Property of 20-Ethyl-16beta-methoxy-4-(methoxymethyl)aconitane-1alpha,6alpha,8,14alpha-tetrol

Chemical Property:

• Vapor Pressure: 6.78E-17mmHg at 25°C
• Boiling Point: 599.9°Cat760mmHg
• Flash Point: 316.6°C
• Density: 1.37g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 423.26208790
• Heavy Atom Count: 30
• Complexity: 737

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)O)O)COC
• Isomeric SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)O)COC

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