(3beta,7alpha)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl (~2~H_3_)acetate | CAS No. 876926-22-6

(3beta,7alpha)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl (~2~H_3_)acetate

Basic Information

CAS Number

876926-22-6

Molecular Formula

C17H19D3O7

Molecular Weight

341.37 g/mol

AD

Basic Physical Properties

CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO

InChI

InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1/i2D3

InChIKey

ADFIQZBYNGPCGY-POMOKOCZSA-N

LogP

-0.26690000000000036

Topological Polar Surface Area

105.59 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

657

Synonyms & References

English

  • 3-d3-Acetyldeoxynivalenol solution,100 mug/ml in acetonitrile,oekanal
  • (3beta,7alpha)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl (~2~H_3_)acetate
  • [(1R,2R,3S,7R,9R,10R,12S)-3-Hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2,2,2-trideuterioacetate
  • DTXSID40583584
  • 876926-22-6
  • Trichothec-9-en-8-one,3-(acetyl-d3-oxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)-
  • 3-Acetyl-d3-deoxynivalenol solution
  • 3-d3-AcDON

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