6-o-Acetylgrayanotoxin II

Base Information

• Chemical Name: 6-o-Acetylgrayanotoxin II
• CAS No.: 59236-87-2
• Molecular Formula: C22H34O6
• Molecular Weight: 394.5
• DSSTox Substance ID: DTXSID70974668
• Mol file: 59236-87-2.mol

Synonyms:6-o-Acetylgrayanotoxin II;Grayanotox-10(20)-ene-3,5,6,14,16-pentol, 6-acetate, (3-beta,6-beta,14R)-;59236-87-2;DTXSID70974668;LS-73130;3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate

Chemical Property of 6-o-Acetylgrayanotoxin II

Chemical Property:

• Vapor Pressure: 7.98E-14mmHg at 25°C
• Boiling Point: 538.1°C at 760 mmHg
• Flash Point: 181.8°C
• Density: 1.28g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 394.23553880
• Heavy Atom Count: 28
• Complexity: 718

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC23CC(C(C2O)CCC3C(=C)C4C1(C(C(C4)O)(C)C)O)(C)O
• Isomeric SMILES: CC(=O)O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3C(=C)[C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O