Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-

Base Information

• Chemical Name: Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-
• CAS No.: 72514-65-9
• Molecular Formula: C22H34O8
• Molecular Weight: 426.5006
• DSSTox Substance ID: DTXSID50993357

Synonyms:72514-65-9;Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-;DTXSID50993357;5,7,10,14,16-Pentahydroxy-2,3-epoxygrayanotoxan-6-yl acetate

Chemical Property of Grayanotoxane-5,6,7,10,14,16-hexol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,7alpha,14R)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 601.1°Cat760mmHg
• Flash Point: 205.9°C
• Density: 1.42g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 426.22536804
• Heavy Atom Count: 30
• Complexity: 800

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(C23CC(C(C2O)CCC3C(C4C1(C(C5C4O5)(C)C)O)(C)O)(C)O)O
• Isomeric SMILES: CC(=O)O[C@@H]1[C@H]([C@@]23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)(C)O)O

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