5,6-Ethylidene-grayanotoxin III

Base Information

• Chemical Name: 5,6-Ethylidene-grayanotoxin III
• CAS No.: 59236-85-0
• Molecular Formula: C22H36O6
• Molecular Weight: 396.5176
• DSSTox Substance ID: DTXSID50974666
• Mol file: 59236-85-0.mol

Synonyms:5,6-Ethylidene-grayanotoxin III;Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6-(ethylidene acetal), (3-beta,6-beta,14R)-;59236-85-0;DTXSID50974666;C22H36O6;LS-73121;2,4,4,7,11-Pentamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,14-tetrol

Chemical Property of 5,6-Ethylidene-grayanotoxin III

Chemical Property:

• Vapor Pressure: 2.28E-15mmHg at 25°C
• Boiling Point: 570.1°C at 760 mmHg
• Flash Point: 298.6°C
• Density: 1.3g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 396.25118886
• Heavy Atom Count: 28
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OC2CC34CC(C(C3O)CCC4C(C5C2(O1)C(C(C5)O)(C)C)(C)O)(C)O
• Isomeric SMILES: CC1O[C@@H]2CC34C[C@@](C([C@@H]3O)CC[C@H]4[C@@]([C@H]5C2(O1)C([C@H](C5)O)(C)C)(C)O)(C)O