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Home > Encyclopedia > [(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate

[(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate

[(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate structure

[(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate 

structure
  • CAS No:

    80178-15-0

  • Formula:

    C17H23ClO6

  • Chemical Name:

    [(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate

  • Synonyms:

    NSC294915;80178-15-0;DTXSID00315500;NSC-294915;ANGUIDINE DERIV 3-CHLOROACETYLSCIRPENE-4,15-DIOL;Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 3-(chloroacetate), (3.alpha.,4.beta.)-

[(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate Basic Attributes

358.8 g/mol

358.1183161 g/mol

294915

DTXSID00315500

Characteristics

88.5 Ų

Computed Properties

Molecular Weight:358.8
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:358.1183161
Monoisotopic Mass:358.1183161
Topological Polar Surface Area:88.5
Heavy Atom Count:24
Complexity:608
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,7R,9R,10R,11S,12R)-11-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] 2-chloroacetate

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