Spiramine A

Base Information

• Chemical Name: Spiramine A
• CAS No.: 114531-28-1
• Molecular Formula: C24H33 N O4
• Molecular Weight: 399.5231
• DSSTox Substance ID: DTXSID80331622
• Wikidata: Q27108327
• Mol file: 114531-28-1.mol

Synonyms:Spiramine A;114531-28-1;[(1R,2R,3S,5S,7R,8R,12R,13R,18R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate;C08709;CHEBI:9235;DTXSID80331622;F92875;Q27108327

Chemical Property of Spiramine A

Chemical Property:

• PSA: 48.00000
• Density: 1.27g/cm³
• LogP: 3.42180
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 399.24095853
• Heavy Atom Count: 29
• Complexity: 813

Purity/Quality:

99% ^*data from raw suppliers

SpiramineA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(=C)C2CCC13C(C2)C45CCCC6(C4CC3OC5N7C6OCC7)C
• Isomeric SMILES: CC(=O)O[C@H]1C(=C)[C@H]2CC[C@]13[C@@H](C2)[C@]45CCC[C@@]6([C@H]4C[C@H]3O[C@H]5N7[C@@H]6OCC7)C