Elaterinide

Base Information

• Chemical Name: Elaterinide
• CAS No.: 1398-78-3
• Molecular Formula: C38H54O13
• Molecular Weight: 718.8276
• NSC Number: 177857
• Metabolomics Workbench ID: 47107
• Mol file: 1398-78-3.mol

Synonyms:2-O-beta-D-glycopyranosyl-cucurbitacin E;elaterinide

Chemical Property of Elaterinide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 158-160℃
• Boiling Point: 878°C at 760 mmHg
• Flash Point: 266.1°C
• PSA: 217.35000
• Density: 1.35g/cm³
• LogP: 1.44870
• Storage Temp.: ?20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 718.35644177
• Heavy Atom Count: 51
• Complexity: 1580

Purity/Quality:

98%Min ^*data from raw suppliers

CucurbitacinE2-O-Glucoside(Elaterinide) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O
• Isomeric SMILES: CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O