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Home > Encyclopedia > [(1R,2R,7R,9R,10R)-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

[(1R,2R,7R,9R,10R)-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

[(1R,2R,7R,9R,10R)-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate structure

[(1R,2R,7R,9R,10R)-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:

    91632-02-9

  • Formula:

    C17H22O6

  • Chemical Name:

    [(1R,2R,7R,9R,10R)-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

  • Synonyms:

    91632-02-9;DTXSID80919621;15-Hydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl acetate

[(1R,2R,7R,9R,10R)-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

322.4 g/mol

322.14163842 g/mol

Characteristics

85.4 Ų

0.7623

Computed Properties

Molecular Weight:322.4
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:322.14163842
Monoisotopic Mass:322.14163842
Topological Polar Surface Area:85.4
Heavy Atom Count:23
Complexity:627
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1R,2R,7R,9R,10R)-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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