Erythrophleguine

Base Information

• Chemical Name: Erythrophleguine
• CAS No.: 4829-28-1
• Molecular Formula: C25H39NO6
• Molecular Weight: 449.5803
• ChEMBL ID: CHEMBL4077738
• DSSTox Substance ID: DTXSID00415099
• Nikkaji Number: J12.767A
• Wikidata: Q27106504
• Mol file: 4829-28-1.mol

Synonyms:Erythrophleguine;4829-28-1;methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate;C08682;CHEBI:4848;CHEMBL4077738;DTXSID00415099;Q27106504

Chemical Property of Erythrophleguine

Chemical Property:

• Vapor Pressure: 1.29E-14mmHg at 25°C
• Boiling Point: 554.7°Cat760mmHg
• Flash Point: 289.3°C
• PSA: 93.14000
• Density: 1.156g/cm³
• LogP: 2.60920
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 449.27773796
• Heavy Atom Count: 32
• Complexity: 791

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCCC(C3C(C2=O)O)(C)C(=O)OC)C
• Isomeric SMILES: C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C