Methyl 16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate;2,3,4-trihydroxy-4-oxobutanoate

Base Information

• Chemical Name: Methyl 16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate;2,3,4-trihydroxy-4-oxobutanoate
• CAS No.: 18786-24-8
• Molecular Formula: C21H22N2O3
• Molecular Weight: 498.48
• European Community (EC) Number: 242-570-5
• Wikipedia: Serpentine_(alkaloid)
• Mol file: 18786-24-8.mol

Synonyms:3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19a-methyl-20a-oxayohimbanium;alstonine;serpentine;serpentine (alkaloid);serpentine (alkaloid), (19alpha,20alpha)-hydroxide inner salt;serpentine (alkaloid), (19alpha,20alpha)-isomer;serpentine (alkaloid), hydrogen tartrate (1:1) salt;serpentine (alkaloid), hydroxide inner salt

Chemical Property of Methyl 16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate;2,3,4-trihydroxy-4-oxobutanoate

Chemical Property:

• Melting Point: 158° (air-dried); mp 175° (after drying at 120° in a high vacuum, but still not entirely solvent-free)
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 482.77°C (rough estimate)
• PSA: 55.20000
• Density: 1.2214 (rough estimate)
• LogP: 2.87270
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 498.16383041
• Heavy Atom Count: 36
• Complexity: 752

Purity/Quality:

98%,99%, ^*data from raw suppliers

Serpentine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4.C(C(C(=O)[O-])O)(C(=O)O)O