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Home > Encyclopedia > [3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate structure

[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate 

structure
  • CAS No:

    54648-10-1

  • Formula:

    C17H22O7

  • Chemical Name:

    [3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

  • Synonyms:

    acetyldeoxynivalenol;Acetyldeoxynivalenol;Deoxynivalenol monoacetate;Dehydronivalenol monoacetate;[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate;NSC267036;7,15-dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate;DTXSID50921817;CHEBI:175302;NSC-267036;Trichothec-9-en-8-one,15-dihydroxy-, (3.alpha.,7.alpha.)-;ANGUIDINE DERIV 3A,15- DIHYDROXY-12,13-EPOXYTRICHOTEC-9-EN-8-ONE;WLN: T C665 A AX EV IO FUTJ B1 C1Q DQ F1 KOV1 LOV1U2 A-& BT3OX CHJ;115825-62-2;Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, monoacetate, (3.alpha.,7.alpha.)-

Description

Solid


Acetyldeoxynivalenol is a trichothecene.

[3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate Basic Attributes

338.4 g/mol

338.13655304 g/mol

267036

Characteristics

106 Ų

185.5-186°C

Drug Information

acetyldeoxynivalenol

Computed Properties

Molecular Weight:338.4
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:338.13655304
Monoisotopic Mass:338.13655304
Topological Polar Surface Area:106
Heavy Atom Count:24
Complexity:657
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

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