3-Hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

Base Information

• Chemical Name: 3-Hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
• CAS No.: 131180-21-7
• Molecular Formula: C₂₁H₃₀O₁₁
• Molecular Weight: 458.463
• Mol file: 131180-21-7.mol

Synonyms:3-Hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

Chemical Property of 3-Hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

Chemical Property:

• Vapor Pressure: 1.12E-24mmHg at 25°C
• Boiling Point: 731.1°C at 760 mmHg
• Flash Point: 255.4°C
• PSA: 178.67000
• Density: 1.61g/cm³
• LogP: -3.01350
• Storage Temp.: ?20°C
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 458.17881177
• Heavy Atom Count: 32
• Complexity: 833

Purity/Quality:

99% ^*data from raw suppliers

Deoxynivalenol 3-glucoside solution 50?μg/mL in acetonitrile, analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 5462389
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC5C(C(C(C(O5)CO)O)O)O)C)CO
• Uses: Deoxynivalenol 3-β-D-glucoside is the resulting compound of the detoxification effect of UDP-glycosyltransferase on Deoxynivalenol (D243900), which is a mycotoxin produced by plant pathogenic fungi affecting wheat and maize, among other grains. The addition of a glucose group from UDP-glucose to Deoxynivalenol inactivates the mycotoxin. High levels of this conjugated mycotoxin are a threat to humans as the mycotoxin can be released after hydrolysis.