Elatoside E

Base Information

• Chemical Name: Elatoside E
• CAS No.: 156980-30-2
• Molecular Formula: C46H74 O16
• Molecular Weight: 883.07
• DSSTox Substance ID: DTXSID301107537
• Nikkaji Number: J590.233I
• Wikidata: Q105221742
• Mol file: 156980-30-2.mol

Synonyms:elatoside E

Chemical Property of Elatoside E

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 961.5°Cat760mmHg
• Flash Point: 276.3°C
• PSA: 254.52000
• Density: 1.38g/cm³
• LogP: 1.98440
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 882.49768627
• Heavy Atom Count: 62
• Complexity: 1690

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O