2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline]

Base Information

• Chemical Name: 2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline]
• CAS No.: 87872-71-7
• Molecular Formula: C21H23 N3 O5
• Molecular Weight: 397.43
• DSSTox Substance ID: DTXSID701007828
• Mol file: 87872-71-7.mol

Synonyms:DTXSID701007828;2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline]

Chemical Property of 2,4'a,5,9'-Tetrahydroxy-3'-(prop-2-en-1-yl)-4',4'a,5',6'-tetrahydro-1'H,7'aH-spiro[imidazole-4,7'-[4,12]methano[1]benzofuro[3,2-e]isoquinoline]

Chemical Property:

• PSA: 117.88000
• LogP: -0.03350
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 396.15594581
• Heavy Atom Count: 29
• Complexity: 859

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC[N+]1=CCC23C4C5(CCC2(C1CC6=C3C(=C(C=C6)O)O4)O)C(=O)NC(=O)N5
• Isomeric SMILES: C=CC[N+]1=CCC23[C@@H]4C5(CCC2([C@@H]1CC6=C3C(=C(C=C6)O)O4)O)C(=O)NC(=O)N5