7-Acetyllycopsamine

Base Information

• Chemical Name: 7-Acetyllycopsamine
• CAS No.: 73544-48-6
• Molecular Formula: C17H27 N O6
• Molecular Weight: 341.4
• UNII: 4E96Z64UMM
• DSSTox Substance ID: DTXSID50223742
• Nikkaji Number: J480.459G
• Wikidata: Q27149737
• Mol file: 73544-48-6.mol

Synonyms:7-Acetyllycopsamine;73544-48-6;Acetyllycopsamine;Lycopsamine `1-acetate;4E96Z64UMM;ACETYLSYMPHYTINE;LYCOPSAMINE 1-ACETATE;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (2S,3S)-;(7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-,[(1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methylester, (2S,3S)-;UNII-4E96Z64UMM;CHEBI:80703;DTXSID50223742;AKOS040752804;[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;HY-122916;CS-0090432;Q27149737;BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (1-(ACETYLOXY)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(2S*,3S*),7A.BETA.))-;BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (1-(ACETYLOXY)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1alpha,7(2S*,3S*),7Abeta))-

Chemical Property of 7-Acetyllycopsamine

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Boiling Point: 466°C at 760 mmHg
• Flash Point: 235.6°C
• PSA: 96.30000
• Density: 1.24g/cm³
• LogP: 0.18140
• 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:

99% ^*data from raw suppliers

7-Acetyllycopsamine ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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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