Neoplatyphylline

Base Information

• Chemical Name: Neoplatyphylline
• CAS No.: 20361-76-6
• Molecular Formula: C18H27NO5
• Molecular Weight: 337.41
• DSSTox Substance ID: DTXSID70174287
• Nikkaji Number: J15.550K
• Wikidata: Q83044353
• Mol file: 20361-76-6.mol

Synonyms:Neoplatyphylline;20361-76-6;(1alpha,15E)-1,2-Dihydro-12-hydroxysenecionan-11,16-dione;Senecionan-11,16-dione, 1,2-dihydro-12-hydroxy-, (1alpha,15E)-;DTXSID70174287;BTHCJHQOYFUIMG-CDQUAFCBSA-N

Chemical Property of Neoplatyphylline

Chemical Property:

• Melting Point: 131-133 °C
• Boiling Point: 539.6±50.0 °C(Predicted)
• PSA: 76.07000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 1.21060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 337.18892296
• Heavy Atom Count: 24
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
• Isomeric SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C