beta-Neoquassin

Base Information

• Chemical Name: beta-Neoquassin
• CAS No.: 88980-56-7
• Molecular Formula: C₂₂H₃₀O₆
• Molecular Weight: 390.477
• UNII: FH9R6T61EG
• Nikkaji Number: J1.505.809I
• Wikidata: Q27277987
• Mol file: 88980-56-7.mol

Synonyms:beta-Neoquassin;Neoquassin, beta-;UNII-FH9R6T61EG;FH9R6T61EG;Neoquassine;88980-56-7;Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-, (16beta)-;C22H30O6;76-77-7;.BETA.-NEOQUASSIN;NEOQUASSIN, .BETA.-;Q27277987;PICRASA-2,12-DIENE-1,11-DIONE, 16-HYDROXY-2,12-DIMETHOXY-, (16.BETA.)-

Chemical Property of beta-Neoquassin

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 390.20423867
• Heavy Atom Count: 28
• Complexity: 797

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC
• Isomeric SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4C[C@H](O3)O)C)OC)C)C)OC