Inerminoside C

Base Information

• Chemical Name: Inerminoside C
• CAS No.: 160492-62-6
• Molecular Formula: C31H46 O16
• Molecular Weight: 674.69
• Mol file: 160492-62-6.mol

Synonyms:2'-O-(5''--O-(8-hydroxy-2,6-dimethyl-2-octenoyl)apiofuranosyl)gardoside;inerminoside C

Chemical Property of Inerminoside C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 894.8°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 251.36000
• Density: 1.47g/cm³
• LogP: -1.55830
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 15
• Exact Mass: 674.27858538
• Heavy Atom Count: 47
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3C4C(CC(C4=C)O)C(=CO3)C(=O)O)CO)O)O)O)CCO
• Isomeric SMILES: CC(CC/C=C(\C)/C(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3C4C(CC(C4=C)O)C(=CO3)C(=O)O)CO)O)O)O)CCO