2-[4-Hydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Base Information

• Chemical Name: 2-[4-Hydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS No.: 20562-03-2
• Molecular Formula: C45H73 N O14
• Molecular Weight: 852.073
• European Community (EC) Number: 633-788-5
• Wikipedia: Chaconine
• Wikidata: Q104391985
• Mol file: 20562-03-2.mol

Synonyms:alpha-chaconine;conine

Chemical Property of 2-[4-Hydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Chemical Property:

• Melting Point: 228-236 °C
• Boiling Point: °Cat760mmHg
• PKA: 12?+-.0.70(Predicted)
• Flash Point: °C
• PSA: 220.46000
• Density: 1.37 g/cm³
• LogP: 1.12070
• Storage Temp.: −20°C
• Solubility.: pyridine: 10 mg/mL, clear, very faintly yellow
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 851.50310600
• Heavy Atom Count: 60
• Complexity: 1570

Purity/Quality:

98%Min ^*data from raw suppliers

a-Chaconine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 63
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
• Uses: α-Chaconine is a glycoalkaloid displaying nerve toxin activity. Potential antifungal activity.