Asperumine

Base Information

• Chemical Name: Asperumine
• CAS No.: 78513-20-9
• Molecular Formula: C18H25NO4
• Molecular Weight: 319.3954
• DSSTox Substance ID: DTXSID801019878
• Wikidata: Q105030742
• Mol file: 78513-20-9.mol

Synonyms:Asperumine;Heliotridine, 7,9-ditiglate;78513-20-9;[(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate;HMXNAWUWVBSLJC-ALOUTBNOSA-N;DTXSID801019878;AKOS040734356

Chemical Property of Asperumine

Chemical Property:

• Vapor Pressure: 4.82E-07mmHg at 25°C
• Boiling Point: 413.4°Cat760mmHg
• Flash Point: 203.8°C
• PSA: 55.84000
• Density: 1.13g/cm³
• LogP: 2.32600
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 319.17835828
• Heavy Atom Count: 23
• Complexity: 574

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(=CC)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C
• Description: The aerial portions of Echium vulgare yield this alkaloid as a colourless oil which is obtained by elution with CHCl3 on a silica gel column

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