7-Acetylrinderine

Base Information

• Chemical Name: 7-Acetylrinderine
• CAS No.: 56317-18-1
• Molecular Formula: C17H27NO6
• Molecular Weight: 341.3994
• DSSTox Substance ID: DTXSID80971749
• Wikidata: Q82955331

Synonyms:7-Acetylrinderine;Rinderine 1-acetate;56317-18-1;DTXSID80971749;[1-(Acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (1S-(1alpha,7(2R*,3S*),7aalpha))-

Chemical Property of 7-Acetylrinderine

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Boiling Point: 466°Cat760mmHg
• Flash Point: 235.6°C
• Density: 1.24g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 341.18383758
• Heavy Atom Count: 24
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)O
• Isomeric SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C)O)O

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